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【结 构 式】 
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【分子编号】38467 【品名】tert-butyl (1S)-1-[[bis(2-thienylmethyl)amino]carbonyl]pentylcarbamate 【CA登记号】 |
【 分 子 式 】C21H30N2O3S2 【 分 子 量 】422.61288 【元素组成】C 59.68% H 7.16% N 6.63% O 11.36% S 15.18% |
与该中间体有关的原料药合成路线共 1 条
合成路线1
该中间体在本合成路线中的序号：(V)Reductive condensation of 2-thienylmethylamine (I) with 2-thiophenecarboxaldehyde (II) in the presence of NaBH(OAc)3 provided bis(2-thienylmethyl)amine (III), which was coupled with N-Boc-2-aminohexanoic acid (IV) by means of EDC and HOBt, yielding amide (V). Acid deprotection of the Boc group of (V) then gave amine (VI).
| 【1】 Scott, I.L.; et al.; Novel N,N-disubstituted amides that are highly potent VLA-4 antagonists. 219th ACS Natl Meet (March 26 2000, San Francisco) 2000, Abst MEDI 284. |
| 【2】 Raju, B.G.; Scott, I.L.; Biediger, R.J.; Market, R.V.; Grabbe, V.O.; Kassir, J.M.; Kogan, T.P.; Lin, S. (Texas Biotechnology Corp.); N,N-Disubstd. amides that inhibit the binding of integrins to their receptors. US 6096773; WO 9952493; WO 9952898 . |
| 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) | 33238 | 2-thienylmethylamine; 2-thienylmethanamine | 27757-85-3 | C5H7NS | 详情 | 详情 |
| (II) | 30732 | 2-thiophenecarbaldehyde; Thiophene-2-carboxaldehyde | 98-03-3 | C5H4OS | 详情 | 详情 |
| (III) | 38466 | 2-thienyl-N-(2-thienylmethyl)methanamine; N,N-bis(2-thienylmethyl)amine | C10H11NS2 | 详情 | 详情 | |
| (IV) | 20398 | (2S)-2-[(tert-butoxycarbonyl)amino]hexanoic acid | C11H21NO4 | 详情 | 详情 | |
| (V) | 38467 | tert-butyl (1S)-1-[[bis(2-thienylmethyl)amino]carbonyl]pentylcarbamate | C21H30N2O3S2 | 详情 | 详情 | |
| (VI) | 38468 | (2S)-2-amino-N,N-bis(2-thienylmethyl)hexanamide | C16H22N2OS2 | 详情 | 详情 |
Extended Information