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【结 构 式】

【分子编号】54928

【品名】Dimethylthiocarbamoyl chloride; N,N-Dimethylthiocarbamoyl chloride

【CA登记号】16420-13-6

【 分 子 式 】C3H6ClNS

【 分 子 量 】123.60608

【元素组成】C 29.15% H 4.89% Cl 28.68% N 11.33% S 25.94%

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)

The oxidation of flumethasone (I) with Pd(OAc)2, PPh3 and IO4H in DMA gives the 17-beta-carboxylic acid (II), which is selectively monoacylated with propionyl chloride (III) and Et2NH in acetone, yielding the 17-alpha-propionyloxy derivative (IV). The reaction of (IV) with N,N-dimethylthiocarbamoyl chloride (V), TEA and NaI in 2-butanone affords the thioanhydride (VI), which is finally treated with chlorofluoromethane and SHNa in DMA to provide the desired fluoromethyl thioester.

1 Cooper, A.J.; Chamberlin, S.A.; Hufnagel, J.J.; Barkalow, J.; Hossain, A.; Langridge, D.C. (Abbott Laboratories Inc.); Method for the preparation of fluticasone and related 17betaETA-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods. WO 0162722 .
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) 14475 (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one 2557-49-5 C22H28F2O5 详情 详情
(II) 14476 (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid C21H26F2O5 详情 详情
(III) 15967 propanoyl chloride; propionyl chloride 79-03-8 C3H5ClO 详情 详情
(IV) 14477 (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(propionyloxy)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid C24H30F2O6 详情 详情
(V) 54928 Dimethylthiocarbamoyl chloride; N,N-Dimethylthiocarbamoyl chloride 16420-13-6 C3H6ClNS 详情 详情
(VI) 54929   C27H35F2NO6S 详情 详情
(VII) 54930 Chlorofluoromethane; Monochloromonofluoromethane 593-70-4 CH2ClF 详情 详情
Extended Information