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【结 构 式】

【分子编号】39715

【品名】methyl 2-chloro-2-(3-methoxy-4-nitrophenyl)acetate

【CA登记号】

【 分 子 式 】C10H10ClNO5

【 分 子 量 】259.64584

【元素组成】C 46.26% H 3.88% Cl 13.65% N 5.39% O 30.81%

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:(III)

Reaction of 2-nitroanisole (I) with methyl dichloroacetate (II) in the presence of potassium tert-butoxide at -5 C produced the arylacetic acid derivative (III). Hydrogenation of (III) over Pd/C produced both reduction of the nitro group and hydrogenolysis of the halogen atom to afford amine (IV), which was then condensed with o-tolyl isocyanate (V) giving urea (VI). Basic hydrolysis of the methyl ester of (VI) provided the corresponding acid (VII). This was coupled with glycine methyl ester (VIII) using EDC and HOBt to yield amide (IX). Then, ester (IX) hydrolysis with LiOH gave rise to carboxylic acid.

1 Morley, A.D.; Harris, N.V.; Astles, P.C. (Rhone-Poulenc Rorer Ltd.); Substd. beta-alanines. WO 9933789 .
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) 39714 methyl 2-nitrophenyl ether; 1-methoxy-2-nitrobenzene 91-23-6 C7H7NO3 详情 详情
(II) 36413 methyl 2,2-dichloroacetate 116-54-1 C3H4Cl2O2 详情 详情
(III) 39715 methyl 2-chloro-2-(3-methoxy-4-nitrophenyl)acetate C10H10ClNO5 详情 详情
(IV) 39716 methyl 2-(4-amino-3-methoxyphenyl)acetate C10H13NO3 详情 详情
(V) 27106 1-isocyanato-2-methylbenzene 614-68-6 C8H7NO 详情 详情
(VI) 39717 methyl 2-[3-methoxy-4-[(2-toluidinocarbonyl)amino]phenyl]acetate C18H20N2O4 详情 详情
(VII) 39718 2-[3-methoxy-4-[(2-toluidinocarbonyl)amino]phenyl]acetic acid C17H18N2O4 详情 详情
(VIII) 17568 methyl 2-aminoacetate C3H7NO2 详情 详情
(IX) 39719 methyl 2-[(2-[3-methoxy-4-[(2-toluidinocarbonyl)amino]phenyl]acetyl)amino]acetate C20H23N3O5 详情 详情
(X) 39720 2-[(2-[3-methoxy-4-[(2-toluidinocarbonyl)amino]phenyl]acetyl)amino]acetic acid C19H21N3O5 详情 详情
Extended Information