4-(4-chlorobutoxy)-2,3,6-trimethylphenol -Drug Synthesis Database

【结构式】

【分子编号】27973

【品名】4-(4-chlorobutoxy)-2,3,6-trimethylphenol

【CA登记号】

【分子式】C₁₃H₁₉ClO₂

【分子量】242.74536

【元素组成】C 64.32% H 7.89% Cl 14.6% O 13.18%

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)

Condensation of trimethylhydroquinone (I) with 4-chloro-1-butanol (II) in the presence of phosphomolybdic acid in refluxing toluene yielded the chlorobutyl ether (III). Benzhydrylpiperazine (VI), (prepared from chlorodiphenylmethane (IV) and piperazine (V)), was then condensed with chloride (III) to give the target compound, which was isolated as the dihydrochloride salt.

参考文献中间体

合成目标

【1】 Kawasaki, N.; Satoh, T.; Nagai, H.; Nishiki, M.; Matsumoto, H.; Inagaki, N.; Miyataka, H.; Synthesis of trimethylhydroquinone derivatives as anti-allergic agents with anti-oxidative actions. Chem Pharm Bull 1999, 47, 2, 177.

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)	26357	2,3,5-trimethyl-1,4-benzenediol	700-13-0	C₉H₁₂O₂	详情	详情
(II)	22336	4-chloro-1-butanol	928-51-8	C₄H₉ClO	详情	详情
(III)	27973	4-(4-chlorobutoxy)-2,3,6-trimethylphenol		C₁₃H₁₉ClO₂	详情	详情
(IV)	27974	Benzhydrylchloride; 1,1-Diphenylchloromethane; Dibenzyl chloride; Alpha-Chlorodiphenylmethane; Chlorodiphenylmethane; Diphenylchloromethane; 1-[chloro(phenyl)methyl]benzene	90-99-3	C₁₃H₁₁Cl	详情	详情
(V)	10355	Diethylenediamine; Piperazine	110-85-0	C₄H₁₀N₂	详情	详情
(VI)	20796	N-(Benzhydryl)piperazine; 1-Benzhydrylpiperazine; 1-(dibenzyl)piperazine	841-77-0	C₁₇H₂₀N₂	详情	详情

Extended Information