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【结 构 式】

【分子编号】28527

【品名】1-(4-chlorophenyl)-1,4-pentanedione

【CA登记号】

【 分 子 式 】C11H11ClO2

【 分 子 量 】210.65984

【元素组成】C 62.72% H 5.26% Cl 16.83% O 15.19%

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)

Friedel-Crafts acylation of chlorobenzene (I) with levulinic acid chloride (II) afforded diketone (III), which was converted to pyrrole (V) by condensation with 4-chloroaniline (IV) in the presence of a catalytic amount of HBr. Mannich reaction of (V) with formaldehyde and N-methylpiperazine (VI) then provided the target aminomethyl pyrrole.

1 Retico, A.; Cerreto, F.; Scalzo, M.; Villa, A.; Studies on anti-Candida agents with a pyrrole moiety. Synthesis and microbiological activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives. Eur J Med Chem 1992, 27, 7, 701.
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) 10190 1-Chlorobenzene 108-90-7 C6H5Cl 详情 详情
(II) 28526 4-oxopentanoyl chloride C5H7ClO2 详情 详情
(III) 28527 1-(4-chlorophenyl)-1,4-pentanedione C11H11ClO2 详情 详情
(IV) 12034 4-Chlorophenylamine; 4-Chloroaniline; p-Chloroaniline 106-47-8 C6H6ClN 详情 详情
(V) 28528 1,2-bis(4-chlorophenyl)-5-methyl-1H-pyrrole C17H13Cl2N 详情 详情
(VI) 10061 1-Methylpiperazine; 1-Methyl piperazine; N-Methylpiperazine 109-01-3 C5H12N2 详情 详情
Extended Information