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【结 构 式】 
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【分子编号】52428 【品名】Bis(tributyltin); Hexabutyldistannane; Bis(tri-n-butyltin); Hexa-n-butylditin; Hexa-n-butyldistannane 【CA登记号】813-19-4 |
【 分 子 式 】C24H54Sn2 【 分 子 量 】580.11276 【元素组成】C 49.69% H 9.38% Sn 40.93% |
与该中间体有关的原料药合成路线共 2 条
合成路线1
该中间体在本合成路线中的序号：(IV)The cyclization of 4-bromo-2-sulfanylaniline (I) with 4-(dimethylamino)benzaldehyde (II) by heating at 180 C in DMSO gives 6-bromo-2-[4-(dimethylamino)phenyl]benzothiazole (III), which is treated with (Bu3Sn)2 (IV) and Pd(PPh3)4 and TEA in dioxane to yield the tributyltin derivative (V). Finally, this compound is treated with 125INa and H2O2 in ethanol/water to afford the target radiolabeled compound.
| 【1】 Zhuang, Z.-P.; et al.; Radioiodinated styrylbenzenes and thioflavins as probes for amyloid aggregates. J Med Chem 2001, 44, 12, 1905. |
| 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) | 25571 | 2-amino-5-bromobenzenethiol; 2-amino-5-bromophenylhydrosulfide | C6H6BrNS | 详情 | 详情 | |
| (II) | 17771 | N,N-Dimethyl-p-aminobenzaldehyde; Ehrlich's reagent; p-Dimethylaminobenzaldehyde; 4-(dimethylamino)benzaldehyde | 100-10-7 | C9H11NO | 详情 | 详情 |
| (III) | 52427 | N-[4-(6-bromo-1,3-benzothiazol-2-yl)phenyl]-N,N-dimethylamine; 4-(6-bromo-1,3-benzothiazol-2-yl)-N,N-dimethylaniline | C15H13BrN2S | 详情 | 详情 | |
| (IV) | 52428 | Bis(tributyltin); Hexabutyldistannane; Bis(tri-n-butyltin); Hexa-n-butylditin; Hexa-n-butyldistannane | 813-19-4 | C24H54Sn2 | 详情 | 详情 |
| (V) | 52429 | N,N-dimethyl-N-{4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]phenyl}amine; N,N-dimethyl-4-[6-(tributylstannanyl)-1,3-benzothiazol-2-yl]aniline | C27H40N2SSn | 详情 | 详情 |
合成路线2
该中间体在本合成路线中的序号：(IV)
| 【1】 Tung R. 2008. Preparation of 4-aminoquinazolines as EGFR and HER-2 inhibitors. PCT Int Appl WO 2008024439(Concert Pharmaceuticals Inc, USA). |
| 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) | 31326 | 5-bromo-2-furoic acid | 585-70-6 | C5H3BrO3 | 详情 | 详情 |
| (II) | 67215 | N,O-dimethylhydroxylamine hydrochloride | C2H8NO.HCl | 详情 | 详情 | |
| (III) | 67216 | 5-bromo-N-methoxy-N-methylfuran-2-carboxamide | C7H8BrNO3 | 详情 | 详情 | |
| (IV) | 52428 | Bis(tributyltin); Hexabutyldistannane; Bis(tri-n-butyltin); Hexa-n-butylditin; Hexa-n-butyldistannane | 813-19-4 | C24H54Sn2 | 详情 | 详情 |
| (V) | 67217 | N-methoxy-N-methyl-5-(tributylstannyl)furan-2-carboxamide | C19H35NO3Sn | 详情 | 详情 | |
| (VI) | 19964 | 5-Iodoanthranilic acid; 2-amino-5-iodobenzoic acid | 5326-47-6 | C7H6INO2 | 详情 | 详情 |
| (VII) | 16598 | Formamide | 75-12-7 | CH3NO | 详情 | 详情 |
| (VIII) | 67218 | 6-iodoquinazolin-4(1H)-one | 16064-08-7 | C8H5IN2O | 详情 | 详情 |
| (IX) | 49875 | 4-chloro-6-iodoquinazoline | 98556-31-1 | C8H4ClIN2 | 详情 | 详情 |
| (X) | 67219 | C10H9N.K | 详情 | 详情 | ||
| (XI) | 67220 | 2-(2-bromoethyl)isoindoline-1,3-dione | C12H4D4BrNO2 | 详情 | 详情 | |
| (XII) | 67221 | iodomethane | CD3I | 详情 | 详情 | |
| (XIII) | 67222 | 2-(2-(methylthio)ethyl)isoindoline-1,3-dione | C11H4D7NO2S | 详情 | 详情 | |
| (XIV) | 13214 | Di-tert-butyldicarbonate; Dicarbonic acid bis(1,1-dimethylethyl) ester; dicarbonic acid di-tert-butyl ester pyrocarbonic acid di-tert-butyl ester; bis(1,1-dimethylethyl) dicarbonate di-tert-butyl pyrocarbonate | 24424-99-5 | C10H18O5 | 详情 | 详情 |
| (XV) | 67223 | tert-butyl (2-(methylsulfonyl)ethyl)carbamate | C8H10D7NO4S | 详情 | 详情 | |
| (XVI) | 67224 | 2-(methylsulfonyl)ethanamine hydrochloride | C3H2D7NO2S.HCl | 详情 | 详情 | |
| (XVII) | 49872 | 1-Chloro-2-Hydroxy-5-Nitrobenzene; 2-Chloro-4-nitrophenol; 4-Nitro-2-chlorophenol; p-Nitro-o-chlorophenol | 619-08-9 | C6H4ClNO3 | 详情 | 详情 |
| (XVIII) | 17221 | 3-Fluorobenzyl bromide; 1-(bromomethyl)-3-fluorobenzene | 456-41-7 | C7H6BrF | 详情 | 详情 |
| (XIX) | 49873 | 2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene; 2-chloro-4-nitrophenyl 3-fluorobenzyl ether | C13H9ClFNO3 | 详情 | 详情 | |
| (XX) | 49874 | 3-chloro-4-[(3-fluorobenzyl)oxy]phenylamine; 3-chloro-4-[(3-fluorobenzyl)oxy]aniline | C13H11ClFNO | 详情 | 详情 | |
| (XXI) | 49876 | N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-N-(6-iodo-4-quinazolinyl)amine; N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodo-4-quinazolinamine | C21H14ClFIN3O | 详情 | 详情 | |
| (XXII) | 67225 | 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-N-methoxy-N-methyltetrahydrofuran-2-carboxamide | C28H26ClFN4O4 | 详情 | 详情 | |
| (XXIII) | 67226 | 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)tetrahydrofuran-2-carbaldehyde | C26H20DClFN3O3 | 详情 | 详情 | |
| (XXIV) | 67227 | tert-butyl ((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)tetrahydrofuran-2-yl)methyl)(2-(methylsulfonyl)ethyl)carbamate | C34H27D9ClFN4O6S | 详情 | 详情 | |
| (XXV) | 67228 | 4-methylbenzenesulfonic acid | 104-15-4 | C7H8O3S | 详情 | 详情 |
Extended Information