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【结 构 式】

【分子编号】69570

【品名】Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid;

【CA登记号】98-11-3

【 分 子 式 】C6H6O3S

【 分 子 量 】158.17784

【元素组成】C 45.56% H 3.82% O 30.34% S 20.27%
与该中间体有关的原料药合成路线共 9 条
合成路线1合成路线2合成路线3合成路线4合成路线5合成路线6合成路线7合成路线8合成路线9

合成路线1

该中间体在本合成路线中的序号：(X)

　

参考文献 中间体
合成目标
【1】 Arrowsmith JE,Campbell SF,Cross PE,et al.Long-acting dihydropyridine calcium antagonists.1.2-Alkoxymethyl derivatives incorporating basic substituents.J Med Chem,1986,29:1696.
【2】 Campbell SF,Cross PE,Stubbs JK.Dihydropyridine anti-ischemic and antihypertensive agents and pharmaceutical compositions containing them:EP,Patent 89,167,1983.
【3】 Billman JH,Parker EE.Amino acids.I.Glycine.J Am Chem Soc,1943,65:761.
【4】 Soine TO,Buchdahl MR.β-Bromoethylphalimide.Org Synth,1952,32:18.
【5】 Peters THA,Benneker FBG,Slanina PBJ.Process for making amlodipine,derivatives thereof,and precursors thereof:US,Patent 2,002,143,046,2002.
【6】 Alsan T,Adiyaman M,Yurdakul A,et al.Isolation of dihydropyridine derivative and preparation salts thereof:WO,Patent 2,004,058,711,2004.
【7】 Bolugoddu V.Dahyabhai JL.Pingili RR.et al.Process for preparing amlodipine:US,Patent 2,007,260,065,2007.
【8】 Purohit AK,Desai BC,Shete BD,et al.Process for the preparation of anti-ischemic and anti-hypertensive drug amlodipine besylate:US,Patent 2,004,044,218,2004.
【9】 Davison E,Wells JI.Salts of amlodipine:DE,Patent 3,710,457,1987.
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) 11900 2-Benzofuran-1,3-dione;1,2-Benzenedicarboxylic Anhydride;1,2-BENZENE DICARBOXYLIC ACID ANHYDRIDE;1,2-BENZENEDICARBONIC ACID, ANHYDRIDE;1,3-DIOXOPHTHALAN;1,3-ISOBENZOFURANDIONE;o-phthalic anhydride; Phthalic anhydride 85-44-9 C8H4O3 详情 详情
(II) 58854 2-(2-hydroxyethyl)-1H-isoindole-1,3(2H)-dione;N-Hydroxyethylphthalimide;N-(2-Hydroxyethyl)phthalimide;2-(2-hydroxyethyl)isoindoline-1,3-dione 3891-07-4 C10H9NO3 详情 详情
(III) 44032 Ethyl 4-(2-phthalimidoethoxy)acetoacetate;ETHYL4-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHOXYL]-3-OXOBUTANOATE;Ethyl-4(2-Phthalimido Ethoxy)Acetoacetate;ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate; Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-3-oxobutanoate 88150-75-8 C16H17NO6 详情 详情
(IV) 54215 ethyl (Z)-3-(2-chlorophenyl)-2-{2-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]acetyl}-2-propenoate n/a C23H20ClNO6 详情 详情
(V) 44035 Phthalimido amlodipine; Phthaloyl Amlodipine; 3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate 103094-30-0 C28H27ClN2O7 详情 详情
(VI) 23541 ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloroacetoacetate 638-07-3 C6H9ClO3 详情 详情
(VII) 24114 2-chlorobenzaldehyde 89-98-5 C7H5ClO 详情 详情
(VIII) 10158 Piperidine 110-89-4 C5H11N 详情 详情
(IX) 69569 Methyl 3-aminocrotonate;Methyl 3-amino-2-butenoate;(Z)-methyl 3-aminobut-2-enoate 14205-39-1 C5H9NO2 详情 详情
(X) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线2

该中间体在本合成路线中的序号：(VI)

　

参考文献 中间体
合成目标
【1】 Arrowsmith JE,Campbell SF,Cross PE,et al.Long-acting dihydropyridine calcium antagonists.1.2-Alkoxymethyl derivatives incorporating basic substituents.J Med Chem,1986,29:1696.
【2】 Campbell SF,Cross PE,Stubbs JK.Dihydropyridine anti-ischemic and antihypertensive agents and pharmaceutical compositions containing them:EP,Patent 89,167,1983.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(III) 24112 ethyl 4-(2-azidoethoxy)-3-oxobutanoate C8H13N3O4 详情 详情
(V) 24115 3-ethyl 5-methyl 2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate C20H23ClN4O5 详情 详情
(I) 23541 ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloroacetoacetate 638-07-3 C6H9ClO3 详情 详情
(II) 24111 2-azido-1-ethanol C2H5N3O 详情 详情
(IV) 44034 methyl (Z)-2-acetyl-3-(2-chlorophenyl)-2-propenoate C12H11ClO3 详情 详情
(VI) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线3

该中间体在本合成路线中的序号：(V)

　

参考文献 中间体
合成目标
【1】 Arrowsmith JE,Campbell SF,Cross PE,et al.Long-acting dihydropyridine calcium antagonists.1.2-Alkoxymethyl derivatives incorporating basic substituents.J Med Chem,1986,29:1696.
【2】 Campbell SF,Cross PE,Stubbs JK.Dihydropyridine anti-ischemic and antihypertensive agents and pharmaceutical compositions containing them:EP,Patent 89,167,1983.
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) 11372 Methyl (E)-3-amino-2-butenoate; Methyl 3-aminocrotonate C5H9NO2 详情 详情
(II) 24114 2-chlorobenzaldehyde 89-98-5 C7H5ClO 详情 详情
(III) 24112 ethyl 4-(2-azidoethoxy)-3-oxobutanoate C8H13N3O4 详情 详情
(IV) 24115 3-ethyl 5-methyl 2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate C20H23ClN4O5 详情 详情
(V) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线4

该中间体在本合成路线中的序号：(V)

　

参考文献 中间体
合成目标
【1】 张上嘉，刘万煌，叶财龙.制备酮酯化合物的方法：TW,Patent 234,560,2005.
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) 24112 ethyl 4-(2-azidoethoxy)-3-oxobutanoate C8H13N3O4 详情 详情
(II) 69571 (E)-ethyl 3-amino-4-(2-azidoethoxy)but-2-enoate C8H14N4O3 详情 详情
(III) 44034 methyl (Z)-2-acetyl-3-(2-chlorophenyl)-2-propenoate C12H11ClO3 详情 详情
(IV) 24115 3-ethyl 5-methyl 2-[(2-azidoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate C20H23ClN4O5 详情 详情
(V) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线5

该中间体在本合成路线中的序号：(V)

　

参考文献 中间体
合成目标
【1】 Arrowsmith JE,Campbell SF,Cross PE,et al.Long-acting dihydropyridine calcium antagonists.1.2-Alkoxymethyl derivatives incorporating basic substituents.J Med Chem,1986,29:1696.
【2】 Campbell SF,Cross PE,Stubbs JK.Dihydropyridine anti-ischemic and antihypertensive agents and pharmaceutical compositions containing them:EP,Patent 89,167,1983.
【3】 Chava S,Ramanjaneyulu GS,Rao KB.Process for the preparation of pure amlodipine:WO,Patent 2,006,003,672,2006.
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) 11372 Methyl (E)-3-amino-2-butenoate; Methyl 3-aminocrotonate C5H9NO2 详情 详情
(II) 24114 2-chlorobenzaldehyde 89-98-5 C7H5ClO 详情 详情
(III) 44032 Ethyl 4-(2-phthalimidoethoxy)acetoacetate;ETHYL4-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHOXYL]-3-OXOBUTANOATE;Ethyl-4(2-Phthalimido Ethoxy)Acetoacetate;ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate; Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-3-oxobutanoate 88150-75-8 C16H17NO6 详情 详情
(IV) 44035 Phthalimido amlodipine; Phthaloyl Amlodipine; 3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate 103094-30-0 C28H27ClN2O7 详情 详情
(V) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线6

该中间体在本合成路线中的序号：(V)

　

参考文献 中间体
合成目标
【1】 Coppi L,Gasanz GY,Campon PJ.Intermediate for the synthesis of amlodipine,preparation process and corresponding utilization:WO,Patent 2,000,024,714,2000.
【2】 Berenguer Maimo R,Merodio Cabanillas JF,Medriano Reperez J.Acetone solvate of phthaloylamlodipine:EP,Patent 1,975,167,2008.
【3】 石卫兵，赖宜生，张奕华.苯磺酸氨氯地平的合成研究.中国药物化学杂志，2006,16:161.
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) 44032 Ethyl 4-(2-phthalimidoethoxy)acetoacetate;ETHYL4-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHOXYL]-3-OXOBUTANOATE;Ethyl-4(2-Phthalimido Ethoxy)Acetoacetate;ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate; Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-3-oxobutanoate 88150-75-8 C16H17NO6 详情 详情
(II) 44033 ethyl (E)-3-amino-4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]-2-butenoate C16H18N2O5 详情 详情
(III) 44034 methyl (Z)-2-acetyl-3-(2-chlorophenyl)-2-propenoate C12H11ClO3 详情 详情
(IV) 44035 Phthalimido amlodipine; Phthaloyl Amlodipine; 3-Ethyl 5-methyl 4-(2-chlorophenyl)-2-[[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]methyl]-6-methyl-1,4-dihydro-3,5-pyridinedicarboxylate 103094-30-0 C28H27ClN2O7 详情 详情
(V) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线7

该中间体在本合成路线中的序号：(V)

　

参考文献 中间体
合成目标
【1】 潘仙华，毛海舫.氨氯地平苯磺酸盐的制备方法：CN,Patent 1,927,837,2007.
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) 48261 ethyl 3-oxo-4-[2-(tritylamino)ethoxy]butanoate C27H29NO4 详情 详情
(II) 69572 (E)-ethyl 3-amino-4-(2-(tritylamino)ethoxy)but-2-enoate C27H30N2O3 详情 详情
(III) 44034 methyl (Z)-2-acetyl-3-(2-chlorophenyl)-2-propenoate C12H11ClO3 详情 详情
(IV) 48262 5-ethyl 3-methyl 4-(2-chlorophenyl)-2-methyl-6-[[2-(tritylamino)ethoxy]methyl]-1,4-dihydro-3,5-pyridinedicarboxylate C39H39ClN2O5 详情 详情
(V) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线8

该中间体在本合成路线中的序号：(IX)

　

参考文献 中间体
合成目标
【1】 Moon YH,Kim ND,Lee KI,et al.Method for preparing amlodipine:US,Patent 2,002,132,834,2002.
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) 10259 Ethanol amine;Ethanolamine;2-Aminoethanol; 2-Amino-1-ethanol；2-Aminoethyl alcohol 141-43-5 C2H7NO 详情 详情
(II) 24848 acetonyl acetone;1,2-Diacetylethane;a,b-Diacetylethane;2,5-Diketohexane;Diacetonyl;Acetonylacetone;2,5-Dioxohexane;2,5-hexanedione 110-13-4 C6H10O2 详情 详情
(III) 69573 2-(2,5-Dimethylpyrrol-1-yl)ethanol;1H-Pyrrole-1-ethanol,2,5-dimethyl-;1-(2-Hydroxyethyl)-2,5-dimethylpyrrole;1-Hydroxyethyl-2,5-dimethylpyrrole 83662-06-0 C8H13NO 详情 详情
(IV) 23541 ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloroacetoacetate 638-07-3 C6H9ClO3 详情 详情
(V) 69574 ethyl 4-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethoxy)-3-oxobutanoate C14H21NO4 详情 详情
(VI) 24114 2-chlorobenzaldehyde 89-98-5 C7H5ClO 详情 详情
(VII) 69569 Methyl 3-aminocrotonate;Methyl 3-amino-2-butenoate;(Z)-methyl 3-aminobut-2-enoate 14205-39-1 C5H9NO2 详情 详情
(VIII) 69575 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-(2,5-dimethyl-1H-pyrrol-1-yl)ethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate C26H31ClN2O5 详情 详情
(IX) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情

合成路线9

该中间体在本合成路线中的序号：(X)

　

参考文献 中间体
合成目标
【1】 Artus Surroca JJ,Janet Bonet M,Rafecas Jane L.Intermediate compounds for obtaining main active anti-hypertensive agents together with corresponding procedures:ES,Patent 2,211,317,2004.
【2】 Yiu SH,Knaus EE.Synthesis,calcium channel antagonist activity,and anticonvulsant activity of 3-ehtyl 5-methyl 1,4-dihydro-2-[(2-hydroxyethoxy)methyl]-6-methyl-4-(2,3-dichloro-phenyl)-3,5-pyridinedicarboxylate coupled to a 1-methyl-1,4-dihydropyridyl-3-carbonyl chemical delivery system. Arch Pharma,1999,332:363.
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) 11295 Polyethylene glycol;1,2-Ethanediol;Monoethylene glycol; Ethylene glycol 107-21-1 C2H6O2 详情 详情
(II) 13684 3,4-Dihydro-2H-pyran;2,3-Dihydro-4H-pyran; 5,6-Dihydro-4H-pyran;Dihydropyran 110-87-2 C5H8O 详情 详情
(III) 69576 2-((tetrahydro-2H-pyran-2-yl)oxy)ethanol C7H14O3 详情 详情
(IV) 23541 ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloro-3-oxobutanoate；Ethyl 4-chloroacetoacetate 638-07-3 C6H9ClO3 详情 详情
(V) 69577 ethyl 3-oxo-4-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethoxy)butanoate C13H22O6 详情 详情
(VI) 69578 ethyl 4-(2-hydroxyethoxy)-3-oxobutanoate C8H14O5 详情 详情
(VII) 44034 methyl (Z)-2-acetyl-3-(2-chlorophenyl)-2-propenoate C12H11ClO3 详情 详情
(VIII) 69579 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-((2-hydroxyethoxy)methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate C20H24ClNO6 详情 详情
(IX) 69580 3-ethyl 5-methyl 4-(2-chlorophenyl)-6-methyl-2-((2-((methylsulfonyl)oxy)ethoxy)methyl)-1,4-dihydropyridine-3,5-dicarboxylate C21H26ClNO8S 详情 详情
(X) 69570 Benzenesulfonic acid;Phenylsulfonic acid;Benzenemonosulfonic acid;Benzensulfonic acid;Benzenesulphonic acid; 98-11-3 C6H6O3S 详情 详情
Extended Information