1-(4-chlorophenyl)-1,4-pentanedione -Drug Synthesis Database

【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.

参考文献中间体

合成目标

【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