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【结 构 式】

【分子编号】15282

【品名】3,4-dihydroxy-5-nitrobenzaldehyde

【CA登记号】116313-85-0

【 分 子 式 】C7H5NO5

【 分 子 量 】183.12044

【元素组成】C 45.91% H 2.75% N 7.65% O 43.69%

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:(I)

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.
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) 15282 3,4-dihydroxy-5-nitrobenzaldehyde 116313-85-0 C7H5NO5 详情 详情
(II) 15283 2-cyano-N,N-diethylacetamide 26391-06-0 C7H12N2O 详情 详情

合成路线2

该中间体在本合成路线中的序号:(II)

 

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
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) 66317 5-Nitrovanillin;4-Hydroxy-3-methoxy-5-nitrobenzaldehyde 6635-20-7 C8H7NO5 详情 详情
(II) 15282 3,4-dihydroxy-5-nitrobenzaldehyde 116313-85-0 C7H5NO5 详情 详情
(III) 15283 2-cyano-N,N-diethylacetamide 26391-06-0 C7H12N2O 详情 详情
Extended Information