【结 构 式】 |
【分子编号】15283 【品名】2-cyano-N,N-diethylacetamide 【CA登记号】26391-06-0 |
【 分 子 式 】C7H12N2O 【 分 子 量 】140.18516 【元素组成】C 59.98% H 8.63% N 19.98% O 11.41% |
与该中间体有关的原料药合成路线共 4 条
合成路线1
该中间体在本合成路线中的序号:(II)Title compound is obtained by reaction of 3,4-dihydroxy-5-nitrobenzaldehyde (I) with N,N-diethyl-2-cyanoacetamide (II) in the presence of piperidine acetate in ethanol.
【1】 Backstrom, R.J.; Heinola, K.E.; Honkanen, E.J.; Kaakkola, S.K.; Karrisalo, P.J.; Linden, I.-B.Y.; Mannisto, P.T.; Nissinen, E.A.O.; Pohto, P.; Pippuri, A.K.; Pystynen, J.J. (Orion Corporation); Novel pharmacologically active cpds., their process of preparation and compsns. containing them. AU 8781879; BE 1003279; CH 685436; DE 3740383; FR 2607493; GB 2200109; JP 1988170311; US 4963590; US 5112861 . |
【2】 Castaner, J.; Prous, J.; Rabasseda, X.; Entacapone. Drugs Fut 1994, 19, 7, 641. |
合成路线2
该中间体在本合成路线中的序号:(III)
【1】 Backstrom RJ, Heinola KE, et aL 1990. Pharmacologunlly active compmmds. metbods for the preparation thereof and compositions containing the same. US 4963590 |
【2】 Pippuri AK, Honkanen EJ, et aL 1992. Stable polymorphic form of (E)-N,N-diethyl-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl) acrylamide and the process for its prepantion. US 5135950 |
合成路线3
该中间体在本合成路线中的序号:(II)
【1】 Jasti V.Veera Reddy A, et aL 2005. Catalytic aldol condensation and acid hydrolysis process for the preparation of cntacapone from 3-alkoxy4-hydroxy-5-nitrobenzadehyde ruul N, N-diethyl-2-cyanoacetamide. W0 2005063693 |
合成路线4
该中间体在本合成路线中的序号:(II)
【1】 Cziaky Z 2006.Process for the preparation of entacapone in a stable polymorphic form and preparation of intermediates for its preparation. W0 2006064296 |
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) | 22701 | 4-hydroxy-3-methoxybenzaldehyde | 121-33-5 | C8H8O3 | 详情 | 详情 |
(II) | 15283 | 2-cyano-N,N-diethylacetamide | 26391-06-0 | C7H12N2O | 详情 | 详情 |
(III) | 66319 | 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxyphenyl)acrylamide | C15H18N2O3 | 详情 | 详情 | |
(IV) | 66318 | 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)acrylamide | C15H17N3O5 | 详情 | 详情 |
Extended Information