3,5-dichloro-N-(3-(3,4-dichlorophenyl)-2-[[(2,2-dimethylpropanoyl)oxy]imino]-6-methyl-5-heptenyl)-N-methylbenzamide -Drug Synthesis Database

【结构式】

【分子编号】44274

【品名】3,5-dichloro-N-(3-(3,4-dichlorophenyl)-2-[[(2,2-dimethylpropanoyl)oxy]imino]-6-methyl-5-heptenyl)-N-methylbenzamide

【CA登记号】

【分子式】C₂₇H₃₀Cl₄N₂O₃

【分子量】572.35768

【元素组成】C 56.66% H 5.28% Cl 24.78% N 4.89% O 8.39%

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：(XIII)

An alternative procedure for the resolution of (VIII) consisted in the O-acylation of oxime group with pivaloyl chloride (XII) to give (XIII), which was resolved into enantiomers by means of chiral HPLC. Hydrazinolysis of the desired (R)-enantiomer provided (XI).

参考文献中间体

合成目标

【1】 Carruthers, N.I.; Alaimo, C.A.; Shih, N.-Y.; Lavey, B.J.; Ting, P.C.; Reichard, G.A. (Schering Corp.); Substd. oximes as neurokinin antagonists. EP 1032561; WO 9926924 .
【2】 Carruthers, N.I.; Reichard, G.A.; Shih, N.-Y.; Lavey, B.J.; Alaimo, C.A.; Ting, P.C. (Schering Corp.); Substd. oximes as neurokinin antagonists. US 6063926 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(VIII)	44271	3,5-dichloro-N-[3-(3,4-dichlorophenyl)-2-(hydroxyimino)-6-methyl-5-heptenyl]-N-methylbenzamide		C₂₂H₂₂Cl₄N₂O₂	详情	详情
(XI)	44273	3,5-dichloro-N-[(3R)-3-(3,4-dichlorophenyl)-2-(hydroxyimino)-6-methyl-5-heptenyl]-N-methylbenzamide		C₂₂H₂₂Cl₄N₂O₂	详情	详情
(XII)	13597	2,2-Dimethylpropanoyl chloride; Pivaloyl chloride	3282-30-2	C₅H₉ClO	详情	详情
(XIII)	44274	3,5-dichloro-N-(3-(3,4-dichlorophenyl)-2-[[(2,2-dimethylpropanoyl)oxy]imino]-6-methyl-5-heptenyl)-N-methylbenzamide		C₂₇H₃₀Cl₄N₂O₃	详情	详情

Extended Information