2-benzoyl-5-methoxy-1H-indole-3-carboxylic acid -Drug Synthesis Database

【结构式】

【分子编号】57933

【品名】2-benzoyl-5-methoxy-1H-indole-3-carboxylic acid

【CA登记号】

【分子式】C₁₇H₁₃NO₄

【分子量】295.29456

【元素组成】C 69.15% H 4.44% N 4.74% O 21.67%

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 alkaline hydrolysis of 5-methoxyisatin (I) provides the ortho-(aminophenyl)glyoxylic acid salt (II), which is then alkylated by 2-bromoacetophenone (III) to furnish the N-phenacylisatin (IV). Rearrangement of (IV) in the presence of NaOH gives rise to a 40:60 mixture of the indolecarboxylic acid (V) and the target decarboxylated compound.

参考文献中间体

合成目标

【1】 Black, D.S.C.; Wong, L.C.H.; A simple synthesis of 2-acyl indoles from isatins. J Chem Soc Chem Commun 1980, 4, 200.

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)	11892	5-Methoxy-1H-indole-2,3-dione	39755-95-8	C₉H₇NO₃	详情	详情
(II)	57931	sodium 2-(2-amino-5-methoxyphenyl)-2-oxoacetate		C₉H₈NNaO₄	详情	详情
(III)	10315	2-Bromo-1-phenyl-ethanone; 2-Bromo-1-phenyl-1-ethanone	70-11-1	C₈H₇BrO	详情	详情
(IV)	57932	5-methoxy-1-(2-oxo-2-phenylethyl)-1H-indole-2,3-dione		C₁₇H₁₃NO₄	详情	详情
(V)	57933	2-benzoyl-5-methoxy-1H-indole-3-carboxylic acid		C₁₇H₁₃NO₄	详情	详情

Extended Information