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【结 构 式】

【分子编号】58376

【品名】tert-butyl 2-({(1R)-1-[((1R,5S)-3-{2-[(ethylamino)carbonyl]phenyl}-8-azabicyclo[3.2.1]oct-8-yl)carbonyl]-4-phenylbutyl}amino)-1,1-dimethyl-2-oxoethylcarbamate

【CA登记号】

【 分 子 式 】C36H50N4O5

【 分 子 量 】618.81696

【元素组成】C 69.87% H 8.14% N 9.05% O 12.93%

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:(XVII)

Alkaline hydrolysis of ethyl ester (XII) affords acid (XIII), which is further coupled to ethylamine, producing amide (XIV). Then, removal of the N-Boc group of (XIV) with HCl in EtOAc gives amine (XV). This is coupled to N-Boc-alpha-methylalanine (XVI) to furnish the dipeptide derivative (XVII). Finally, acidic Boc-group cleavage in (XVII) leads to the title compound.

1 Brinkmann, V.; Hesise, C.E.; Davis, M.D.; et al.; FTY720, a novel therapeutic for transplantation and autoimmunity, targets G-protein-coupled receptors for sphingosine-1-phosphate. 19th Int Congr Transplant Soc (Aug 25 2002, Miami) 2002, Abst 0116.
2 Patchett, A.A.; Tata, J.R.; Lu, Z. (Merck & Co., Inc.); Bridged piperidines promote release of growth hormone. US 5731317 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XII) 58372 ethyl 2-((1R,5S)-8-{(2R)-2-[(tert-butoxycarbonyl)amino]-5-phenylpentanoyl}-8-azabicyclo[3.2.1]oct-3-yl)benzoate C32H42N2O5 详情 详情
(XIII) 58373 2-((1R,5S)-8-{(2R)-2-[(tert-butoxycarbonyl)amino]-5-phenylpentanoyl}-8-azabicyclo[3.2.1]oct-3-yl)benzoic acid C30H38N2O5 详情 详情
(XIV) 58374 tert-butyl (1R)-1-[((1R,5S)-3-{2-[(ethylamino)carbonyl]phenyl}-8-azabicyclo[3.2.1]oct-8-yl)carbonyl]-4-phenylbutylcarbamate C32H43N3O4 详情 详情
(XV) 58375 2-{(1R,5S)-8-[(2R)-2-amino-5-phenylpentanoyl]-8-azabicyclo[3.2.1]oct-3-yl}-N-ethylbenzamide C27H35N3O2 详情 详情
(XVI) 18471 N-(tert-butoxycarbonyl)-2-methylalanine 30992-29-1 C9H17NO4 详情 详情
(XVII) 58376 tert-butyl 2-({(1R)-1-[((1R,5S)-3-{2-[(ethylamino)carbonyl]phenyl}-8-azabicyclo[3.2.1]oct-8-yl)carbonyl]-4-phenylbutyl}amino)-1,1-dimethyl-2-oxoethylcarbamate C36H50N4O5 详情 详情
Extended Information