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【结 构 式】 
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【分子编号】19483 【品名】2,2,2-trifluoro-1-ethanol 【CA登记号】75-89-8 |
【 分 子 式 】C2H3F3O 【 分 子 量 】100.0404296 【元素组成】C 24.01% H 3.02% F 56.97% O 15.99% |
合成路线1
该中间体在本合成路线中的序号：(X)The etherification of hydroquinone (I) with 2,2,2-trifluoroethyl trifluoromethanesulfonate (II) by means of K2CO3 in refluxing acetone gives the corresponding diether (III), which is submitted to a Friedel-Crafts condensation with Ac-Cl or Ac2O and AlCl3 in dichloromethane yielding the acetophenone (IV). The chlorination of (IV) with Cl2 in acetic acid at 55 C gives the alpha, alpha-dichloroacetophenone (V), which is further chlorinated with Cl2 and NaOAc in acetic acid at 100 C affording the corresponding trichloro derivative (VI). The reaction of (VI) with 2-(aminomethyl)pyridine (VII) in cyclohexane/toluene or isopropanol furnishes the benzamide (VIII), which is finally hydrogenated with H2 over Pt/C in isopropanol/acetic acid to give the target piperidine derivative.
| 【1】 Leir, C.M. (3M Pharmaceuticals); Process for the preparation of derivs. of pyrrolidine and piperidine. US 4642384 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 13163 | p-Dihydrobenzene; Hydroquinone | 123-31-9 | C6H6O2 | 详情 | 详情 |
| (II) | 40675 | 2,2,2-trifluoroethyl trifluoromethanesulfonate | 6226-25-1 | C3H2F6O3S | 详情 | 详情 |
| (III) | 40737 | 1,4-bis(2,2,2-trifluoroethoxy)benzene; 4-(2,2,2-trifluoroethoxy)phenyl 2,2,2-trifluoroethyl ether | 66300-61-6 | C10H8F6O2 | 详情 | 详情 |
| (IV) | 40738 | 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-1-ethanone | 76784-40-2 | C12H10F6O3 | 详情 | 详情 |
| (V) | 40739 | 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,2-dichloro-1-ethanone | C12H8Cl2F6O3 | 详情 | 详情 | |
| (VI) | 40740 | 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,2,2-trichloro-1-ethanone | 76784-42-4 | C12H7Cl3F6O3 | 详情 | 详情 |
| (VII) | 13582 | 2-Pyridinylmethanamine; 2-Pyridinylmethylamine; 2-(Aminomethyl)pyridine | 3731-51-9 | C6H8N2 | 详情 | 详情 |
| (VIII) | 33970 | N-(2-pyridinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide | C17H14F6N2O3 | 详情 | 详情 | |
| (IX) | 18983 | 1,4-dibromobenzene | 106-37-6 | C6H4Br2 | 详情 | 详情 |
| (X) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(II)The condensation of 2,3-dimethyl-4-nitropyridine N-oxide (I) with 2,2,2-trifluoroethanol (II) by means of K2CO3 in hot HMPT gives 2,3-dimethyl-4-(2,2,2-trifluoroethoxy)pyridine N-oxide (III), which by isomerization in acetic anhydride at 100 C is converted to 2-(hydroxymethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine (IV). The reaction of (IV) with SOCl2 in refluxing CHCl3 affords the corresponding chloromethyl derivative (V), which is condensed with 2-mercaptobenzimidazole (VI) by means of sodium methoxide in refluxing methanol to yield 2-(2-benzimidazolylthiomethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridin (VII). Finally, this compound is oxidized with m-chloroperbenzoic acid in CHCl3.
| 【1】 Makino, T.; Tabata, T.; Hirai, S.; Stabilized pharmaceutical composition comprising a benzimidazole compound, its production and its use as an antiulcer agent.. EP 237200; JP 87277322 . |
| 【2】 Nohara, A.; Maki, Y. (Takeda Chemical Industries, Ltd.); Pyridine derivs. and their production. AU 8545895; EP 0174726; ES 8607288; JP 1986050978; US 4628098; US 4689333 . |
| 【3】 Prous, J.; Castaner, J.; LANSOPRAZOLE < Prop INN >. Drugs Fut 1989, 14, 7, 625. |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 17888 | m-Chloroperbenzoic acid; 3-Chlorobenzenecarboperoxoic acid | 937-14-4 | C7H5ClO3 | 详情 | 详情 | |
| (I) | 19482 | 2,3-dimethyl-4-nitro-1-pyridiniumolate | 37699-43-7 | C7H8N2O3 | 详情 | 详情 |
| (II) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (III) | 19484 | 2,3-dimethyl-4-(2,2,2-trifluoroethoxy)-1-pyridiniumolate | C9H10F3NO2 | 详情 | 详情 | |
| (IV) | 19485 | [3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol | C9H10F3NO2 | 详情 | 详情 | |
| (V) | 19486 | 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine; 2-(chloromethyl)-3-methyl-4-pyridinyl 2,2,2-trifluoroethyl ether | 127337-60-4 | C9H9ClF3NO | 详情 | 详情 |
| (VI) | 12821 | 2-Mercaptobenzinidiazole; 1H-Benzimidazol-2-ylhydrosulfide; 1H-Benzimidazole-2-thiol; 2-Benzimidazolethiol; o-Phenylenethiourea; 2-Benzimidazolinethione; 1,3-Dihydro-2H-benzimidazole-2-thione | 583-39-1 | C7H6N2S | 详情 | 详情 |
| (VII) | 19488 | 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3-methyl-4-pyridinyl 2,2,2-trifluoroethyl ether; 2-([[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfanyl)-1H-benzimidazole | 103577-40-8 | C16H14F3N3OS | 详情 | 详情 |
合成路线3
该中间体在本合成路线中的序号：(X)The chlorination of 2,3-dimethyl-4-(2,2,2-trifluoroethoxy)pyridine-N-oxide (I) with trichloroisocyanuric acid in hot chloroform gives the 2-chloromethyl derivative (II), which is condensed with 2-mercapto-1H-benzimidazole (III) by means of NaOH in methanol to yield the adduct (IV). The reaction of (IV) with PCl3 and acetic acid eliminates the N-oxide group, affording the sulfanylmethylpyridine (V). Finally, this compound is oxidized with tert-butyl hydroperoxide (VI) in ethanol to provide the target sulfoxide. Alternatively, the intermediate adduct (IV) can also be obtained as follows: The chlorination of 2,3-dimethyl-4-nitropyridine-N-oxide (VII) with trichloroisocyanuric acid as before gives the chloromethyl derivative (VIII), which is condensed with 2-mercapto-1H-benzimidazole (III) as before to yield the adduct (IX). Finally, this compound is treated with 2,2,2-trifluoroethanol (X), benzyltrimethylammonium chloride and K2CO3 in acetonitrile to afford the target intermediate (IV).
| 【1】 Montserrat Vidal, C.; Serra Macia, X. (Laboratorios Salvat SA); Intermediate for the synthesis of lansoprazole and process for obtaining it. ES 2063705 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 19484 | 2,3-dimethyl-4-(2,2,2-trifluoroethoxy)-1-pyridiniumolate | C9H10F3NO2 | 详情 | 详情 | |
| (II) | 51411 | 2-(chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)-1-pyridiniumolate | C9H9ClF3NO2 | 详情 | 详情 | |
| (III) | 12821 | 2-Mercaptobenzinidiazole; 1H-Benzimidazol-2-ylhydrosulfide; 1H-Benzimidazole-2-thiol; 2-Benzimidazolethiol; o-Phenylenethiourea; 2-Benzimidazolinethione; 1,3-Dihydro-2H-benzimidazole-2-thione | 583-39-1 | C7H6N2S | 详情 | 详情 |
| (IV) | 51412 | 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3-methyl-4-(2,2,2-trifluoroethoxy)-1-pyridiniumolate | C16H14F3N3O2S | 详情 | 详情 | |
| (V) | 19488 | 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3-methyl-4-pyridinyl 2,2,2-trifluoroethyl ether; 2-([[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfanyl)-1H-benzimidazole | 103577-40-8 | C16H14F3N3OS | 详情 | 详情 |
| (VI) | 37518 | tert-butyl hydroperoxide | 75-91-2 | C4H10O2 | 详情 | 详情 |
| (VII) | 19482 | 2,3-dimethyl-4-nitro-1-pyridiniumolate | 37699-43-7 | C7H8N2O3 | 详情 | 详情 |
| (VIII) | 51413 | 2-(chloromethyl)-3-methyl-4-nitro-1-pyridiniumolate | C7H7ClN2O3 | 详情 | 详情 | |
| (IX) | 51414 | 2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3-methyl-4-nitro-1-pyridiniumolate | C14H12N4O3S | 详情 | 详情 | |
| (X) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
合成路线4
该中间体在本合成路线中的序号：(II)The intermediate arylpiperazine (VI) was prepared as follows: Reaction of 2,4-difluoronitrobenzene (I) with trifluoroethanol (II) in the presence of potassium tert-butoxide yielded the trifluoroethyl ether (III). After catalytic hydrogenation of the nitro group of (III), the resultant aniline (IV) was cyclized with bis(2-chloroethyl) amine hydrochloride (V) in a refluxing mixture of o-dichlorobenzene and n-hexanol to afford the target piperazine (VI).
| 【1】 Bantle, G.W.; Elworthy, T.R.; Guzman, A.; Jaime-Figueroa, S.; Lopez-Tapia, F.J.; Morgans, D.J. Jr.; Perez-Medrano, A.; Pfister, J.R.; Sjogren, E.B.; Talamas, F.X. (F. Hoffmann-La Roche AG); Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivs. as alpha1-adrenergic receptor antagonists. EP 0748800; JP 1997100269 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 32036 | 2,4-difluoro-1-nitrobenzene | 446-35-5 | C6H3F2NO2 | 详情 | 详情 |
| (II) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (III) | 54365 | 4-fluoro-1-nitro-2-(2,2,2-trifluoroethoxy)benzene; 5-fluoro-2-nitrophenyl 2,2,2-trifluoroethyl ether | C8H5F4NO3 | 详情 | 详情 | |
| (IV) | 54366 | 4-fluoro-2-(2,2,2-trifluoroethoxy)aniline; 4-fluoro-2-(2,2,2-trifluoroethoxy)phenylamine | C8H7F4NO | 详情 | 详情 | |
| (V) | 21583 | 2-chloro-N-(2-chloroethyl)-1-ethanamine; Bis(2-chloroethyl)amine; 1,1'-iminobis(2-chloroethane); N,N-bis(2-chloroethyl)amine | 821-48-7 | C4H9Cl2N | 详情 | 详情 |
| (VI) | 54367 | 1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazine; 5-fluoro-2-(1-piperazinyl)phenyl 2,2,2-trifluoroethyl ether | C12H14F4N2O | 详情 | 详情 |
合成路线5
该中间体在本合成路线中的序号：(V)Diethyl malonate (I) was alkylated with 2-bromoethyl ethyl ether (II) in the presence of NaOEt to provide diethyl 2-(ethoxyethyl)malonate (III). Treatment of 2-chloronitrobenzene (IV) with 2,2,2-trifluoroethanol (V) afforded the trifluoroethyl ether (VI). Subsequent reduction of the nitro group of (VI) by means of iron in acetic acid gave aniline (VII), which was condensed with malonate (III) in refluxing diphenyl ether, yielding furoquinoline (VIII). Further reaction of (VIII) with o-toluidine (IX) in boiling diethylene glycol produced the tetrahydropyrroloquinoline (X). Aromatization of the pyrrole ring of (X) to give (XI) was achieved by dehydrogenation in diphenyl ether in the presence of Pd/C. Chloroquinoline (XII) was then obtained by chlorination of (XI) with POCl3. Finally, displacement of the chlorine atom of (XII) by means of ethanolamine at 180 C furnished the title compound.
| 【1】 Kim, H.-J.; Kim, S.-S.; Yoo, Y.-K.; Kang, S.-K.; Cheon, H.-G.; Choi, J.-K.; Yum, E.-K. (Korea Research Institute of Chemical Technology); Pyrrolo[3,2-c]quinoline derivs. containing haloalkoxy group and pharmaceutically acceptable salts thereof. CA 2268166; EP 0966466; JP 2000504352; US 6011044; WO 9909029 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 10259 | Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol；2-Aminoethyl alcohol | 141-43-5 | C2H7NO | 详情 | 详情 | |
| (I) | 16829 | Diethyl malonate | 105-53-3 | C7H12O4 | 详情 | 详情 |
| (II) | 34659 | 2-bromoethyl ethyl ether; 1-bromo-2-ethoxyethane | 592-55-2 | C4H9BrO | 详情 | 详情 |
| (III) | 34660 | diethyl 2-(2-ethoxyethyl)malonate | C11H20O5 | 详情 | 详情 | |
| (IV) | 15248 | 1-chloro-2-nitrobenzene | 88-73-3 | C6H4ClNO2 | 详情 | 详情 |
| (V) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (VI) | 29562 | 2-nitrophenyl 2,2,2-trifluoroethyl ether; 1-nitro-2-(2,2,2-trifluoroethoxy)benzene | C8H6F3NO3 | 详情 | 详情 | |
| (VII) | 29563 | 2-(2,2,2-trifluoroethoxy)aniline; 2-(2,2,2-trifluoroethoxy)phenylamine | C8H8F3NO | 详情 | 详情 | |
| (VIII) | 34661 | 6-(2,2,2-trifluoroethoxy)-3,5-dihydrofuro[3,2-c]quinolin-4(2H)-one | C13H10F3NO3 | 详情 | 详情 | |
| (IX) | 15511 | o-toluidine; 2-methylphenylamine;2-Methylaniline；2-Aminotoluene;1-Amino-2-methylbenzene;1-Methyl-2-aminobenzene; ortho-Toluidine | 95-53-4 | C7H9N | 详情 | 详情 |
| (X) | 34662 | 1-(2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-c]quinolin-4-one | C20H17F3N2O2 | 详情 | 详情 | |
| (XI) | 34663 | 1-(2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-1,5-dihydro-4H-pyrrolo[3,2-c]quinolin-4-one | C20H15F3N2O2 | 详情 | 详情 | |
| (XII) | 34664 | 4-chloro-1-(2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-1H-pyrrolo[3,2-c]quinoline; 4-chloro-1-(2-methylphenyl)-1H-pyrrolo[3,2-c]quinolin-6-yl 2,2,2-trifluoroethyl ether | C20H14ClF3N2O | 详情 | 详情 |
合成路线6
该中间体在本合成路线中的序号：Treatment of 10-hydroxycamptothecin (I) with EtOH and H2SO4 in the presence of FeCl3 produced 5-ethoxy-10-hydroxycamptothecin (II) along with minor amounts of the 5-hydroxy derivative (III). Hydrolysis of (II) to give (III) was effected using HCl in H2O-EtOH. Finally, acid-catalyzed condensation of (III) with 2,2,2-trifluoroethanol furnished the title compound.
| 【1】 Subrahmanyam, D.; Sarma, V.M.; Venkateswarlu, A.; et al.; Novel C-ring analogues of 20(S)-camptothecin. Part 3: Synthesis and their in vitro cytotoxicity of A-, B- and C-ring analogues. Bioorg Med Chem Lett 2000, 10, 4, 369. |
| 【2】 Bitonti, A.; Woessner, R.; Peyman, A.; Uhlmann, E. (Aventis Pharma Deutschland GmbH); Short oligonucleotides for the inhibition of VEGF expression. EP 0979869; WO 0008141 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 | |
| (I) | 13340 | (4S)-4-Ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 7-Ethyl-10-hydroxycamptothecin | 86639-52-3 | C20H16N2O5 | 详情 | 详情 |
| (II) | 38994 | (4S)-12-ethoxy-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C22H20N2O6 | 详情 | 详情 | |
| (III) | 38995 | (4S)-4-ethyl-4,9,12-trihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione | C20H16N2O6 | 详情 | 详情 |
合成路线7
该中间体在本合成路线中的序号：(II)Reaction of 2-chloronitrobenzene (I) with the sodium alkoxide of 2,2,2-trifluoroethanol (II) in cold THF afforded trifluoroethyl ether (III). The nitro group of (III) was then reduced by means of iron and AcOH to produce 2-(trifluoroethoxy)aniline (IV). Condensation of (IV) with diethyl (2-ethoxyethyl)malonate (V) in boiling diphenyl ether led to the furoquinolinone system (VI), and subsequent reaction of (VI) with 2-methyl-4-methoxyaniline (VII) in refluxing diethylene glycol generated the pyrroloquinolinone (VIII). Chlorination of (VIII) with POCl3 gave chloropyrroloquinoline (IX). Finally, displacement of the chlorine of (IX) by ethanolamine at 180 C yielded the title compound.
| 【1】 Kim, H.-J.; Kim, S.-S.; Yoo, Y.-K.; Kang, S.-K.; Cheon, H.-G.; Choi, J.-K.; Yum, E.-K. (Korea Research Institute of Chemical Technology); Pyrrolo[3,2-c]quinoline derivs. containing haloalkoxy group and pharmaceutically acceptable salts thereof. CA 2268166; EP 0966466; JP 2000504352; US 6011044; WO 9909029 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| 10259 | Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol；2-Aminoethyl alcohol | 141-43-5 | C2H7NO | 详情 | 详情 | |
| (I) | 15248 | 1-chloro-2-nitrobenzene | 88-73-3 | C6H4ClNO2 | 详情 | 详情 |
| (II) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (III) | 29562 | 2-nitrophenyl 2,2,2-trifluoroethyl ether; 1-nitro-2-(2,2,2-trifluoroethoxy)benzene | C8H6F3NO3 | 详情 | 详情 | |
| (IV) | 29563 | 2-(2,2,2-trifluoroethoxy)aniline; 2-(2,2,2-trifluoroethoxy)phenylamine | C8H8F3NO | 详情 | 详情 | |
| (V) | 34660 | diethyl 2-(2-ethoxyethyl)malonate | C11H20O5 | 详情 | 详情 | |
| (VI) | 34661 | 6-(2,2,2-trifluoroethoxy)-3,5-dihydrofuro[3,2-c]quinolin-4(2H)-one | C13H10F3NO3 | 详情 | 详情 | |
| (VII) | 40006 | 4-methoxy-2-methylphenylamine; 4-methoxy-2-methylaniline | 102-50-1 | C8H11NO | 详情 | 详情 |
| (VIII) | 40007 | 1-(4-methoxy-2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-c]quinolin-4-one | C21H19F3N2O3 | 详情 | 详情 | |
| (IX) | 40008 | 4-chloro-1-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-pyrrolo[3,2-c]quinolin-6-yl 2,2,2-trifluoroethyl ether; 4-chloro-1-(4-methoxy-2-methylphenyl)-6-(2,2,2-trifluoroethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline | C21H18ClF3N2O2 | 详情 | 详情 |
合成路线8
该中间体在本合成路线中的序号：(XI)The condensation of 4-(trifluoromethoxy)phenol (I) with 4-fluorophenyl(methyl)sulfone (II) by means of K2CO3 in hot DMSO gives the diphenyl ether (III), which is condensed with 2,2-dimethyl-1,3-dioxolane-(R)-carboxylic acid methyl ester (IV) by means of BuLi in THF to afford the ethanone (V). The reduction of (V) with NaBH4 in ethanol yields the ethanol derivative (VI), which is dehydrated to the ethylene (VII) by means of MsCl, TEA and NaHCO3. The addition of hydroxylamine to the double bond of (VII) provides the hydroxyamine derivative (VIII) as a diastereomeric mixture that is separated by flash chromatography, affording the desired enantiomer (IX). Finally, this compound is formylated by treatment with 2,2,2-trifluoroethyl formate (X) (obtained by reaction of 2,2,2-trifluoroethanol (XI) with hot formic acid (XII)) in refluxing MTBE.
| 【1】 Curtin, M.L.; Wada, C.K.; Holms, J.H.; et al.; Phenoxyphenyl sulfone N-forylhydroxylamines (retrohydroxamates) as potent, selective, orally bioavailable matrix metalloproteinase inhibitors. J Med Chem 2002, 45, 1, 219. |
| 【2】 Curtin, M.L.; Davidsen, S.K.; Michaelides, M.R.; Steinman, D.H.; Dai, Y.; Heyman, H.R.; Holmes, J.H. (Abbott Laboratories Inc.); Reverse hydroxamate inhibitors of matrix metalloproteinases. WO 0044739 . |
| 中间体序号 | 中间体编号 | 品名 | CAS号 | 分子式 | 供应商 | 用于合成 |
|---|---|---|---|---|---|---|
| (I) | 18780 | 4-(trifluoromethoxy)phenol | 828-27-3 | C7H5F3O2 | 详情 | 详情 |
| (II) | 46256 | 4-fluorophenyl methyl sulfone; (4-fluorophenyl)(methyl)dioxo-lambda(6)-sulfane | C7H7FO2S | 详情 | 详情 | |
| (III) | 46241 | methyl(dioxo)[4-[4-(trifluoromethoxy)phenoxy]phenyl]-lambda(6)-sulfane; methyl 4-[4-(trifluoromethoxy)phenoxy]phenyl sulfone | C14H11F3O4S | 详情 | 详情 | |
| (IV) | 20917 | methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate | 52373-72-5 | C7H12O4 | 详情 | 详情 |
| (V) | 46257 | 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)-1-ethanone | C20H19F3O7S | 详情 | 详情 | |
| (VI) | 46258 | (1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)-1-ethanol | C20H21F3O7S | 详情 | 详情 | |
| (VII) | 46259 | (Z)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl 4-[4-(trifluoromethoxy)phenoxy]phenyl sulfone; (4S)-2,2-dimethyl-4-[(Z)-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)ethenyl]-1,3-dioxolane | C20H19F3O6S | 详情 | 详情 | |
| (VIII) | 46260 | (4S)-4-[1-(hydroxyamino)-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)ethyl]-2,2-dimethyl-1,3-dioxolane; N-[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)ethyl]hydroxylamine | C20H22F3NO7S | 详情 | 详情 | |
| (IX) | 46261 | N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)ethyl]hydroxylamine; (4S)-4-[(1S)-1-(hydroxyamino)-2-([4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl)ethyl]-2,2-dimethyl-1,3-dioxolane | C20H22F3NO7S | 详情 | 详情 | |
| (X) | 46245 | 2,2,2-trifluoroethyl formate | C3H3F3O2 | 详情 | 详情 | |
| (XI) | 19483 | 2,2,2-trifluoro-1-ethanol | 75-89-8 | C2H3F3O | 详情 | 详情 |
| (XII) | 14590 | Formic acid | 64-18-6 | CH2O2 | 详情 | 详情 |