1-(4-chlorophenyl)-1-phenyl-1-ethanol -Drug Synthesis Database

【结构式】

【分子编号】22917

【品名】1-(4-chlorophenyl)-1-phenyl-1-ethanol

【CA登记号】

【分子式】C₁₄H₁₃ClO

【分子量】232.70932

【元素组成】C 72.26% H 5.63% Cl 15.23% O 6.88%

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：(I)

4-Chloro-alpha-methylbenzhydrol (I) is alkylated with N-(2-chloroethyl)hexamethyleneimine (II) in benzene in the presence of sodium amide to give setastine. The starting products are obtained as follows; Caprolactame (III) is O-alkylated with dimethyl sulfate to yield the lactimether (IV), which is reduced with sodium borohydride to hexamethyleneimine (II). Friedel Cratts acylation of chlorobenzene (V) with benzoyl chloride (VI) affords the benzophenone (VII), to which methylmagnesium bromide is added to give the carbinol (I).

参考文献中间体

合成目标

【1】 Rakoczi, J.; Bolla, K.; Beck, I.; Porszasz, K. (Egis Pharmaceuticals Ltd.); New benzhydryloxy-alkylamine derivs. and process f. DE 2528194; GB 1463038 .
【2】 Nogradi, M.; Setastine hydrochloride. Drugs Fut 1987, 12, 4, 357.

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)	22917	1-(4-chlorophenyl)-1-phenyl-1-ethanol		C₁₄H₁₃ClO	详情	详情
(II)	22918	1-(2-chloroethyl)azepane		C₈H₁₆ClN	详情	详情
(III)	22919	2-azepanone	105-60-2	C₆H₁₁NO	详情	详情
(IV)	22920	7-methoxy-3,4,5,6-tetrahydro-2H-azepine; methyl 3,4,5,6-tetrahydro-2H-azepin-7-yl ether	2525-16-8	C₇H₁₃NO	详情	详情
(V)	10190	1-Chlorobenzene	108-90-7	C₆H₅Cl	详情	详情
(VI)	10463	Benzoyl chloride	98-88-4	C₇H₅ClO	详情	详情
(VII)	22923	(4-chlorophenyl)(phenyl)methanone; 4-Chlorobenzophenone	134-85-0	C₁₃H₉ClO	详情	详情

Extended Information