[1,1'-biphenyl]-4-ol -Drug Synthesis Database

【结构式】

【分子编号】32511

【品名】[1,1'-biphenyl]-4-ol

【CA登记号】92-69-3

【分子式】C₁₂H₁₀O

【分子量】170.2108

【元素组成】C 84.68% H 5.92% O 9.4%

与该中间体有关的原料药合成路线共 3 条

合成路线1 合成路线2 合成路线3

合成路线1

该中间体在本合成路线中的序号：(I)

The arylation of 4-phenylphenol (I) with 3,4-dichlorobenzaldehyde (II) in the presence of K2CO3 in hot DMSO afforded diary ether (III). The target carboxylic acid was then obtained by oxidation of the aldehyde group of (III) by means of Ag2O, generated from AgNO3 and NaOH.

参考文献中间体

合成目标

【1】 Fujii, M.; Naito, R.; Oritani, H.; Kimura, T.; Koutoku, H.; Hara, H.; Igarashi, S.; Mase, T.; A novel class of inhibitors for human steroid 5alpha-reductase: Phenoxybenzoic acid derivatives. I. Chem Pharm Bull 1999, 47, 8, 1073.

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)	32511	[1,1'-biphenyl]-4-ol	92-69-3	C₁₂H₁₀O	详情	详情
(II)	18122	3,4-Dichlorobenzaldehyde	6287-38-3	C₇H₄Cl₂O	详情	详情
(III)	32512	4-([1,1'-biphenyl]-4-yloxy)-3-chlorobenzaldehyde		C₁₉H₁₃ClO₂	详情	详情

合成路线2

该中间体在本合成路线中的序号：(I)

The arylation of 4-phenylphenol (I) with 3,4-difluorobenzaldehyde (II) in the presence of K2CO3 in hot DMSO afforded diary ether (III). The target carboxylic acid was then obtained by oxidation of the aldehyde group of (III) by means of Ag2O, generated from AgNO3 and NaOH.

参考文献中间体

合成目标

【1】 Fujii, M.; Naito, R.; Oritani, H.; Kimura, T.; Koutoku, H.; Hara, H.; Igarashi, S.; Mase, T.; A novel class of inhibitors for human steroid 5alpha-reductase: Phenoxybenzoic acid derivatives. I. Chem Pharm Bull 1999, 47, 8, 1073.

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)	32511	[1,1'-biphenyl]-4-ol	92-69-3	C₁₂H₁₀O	详情	详情
(II)	26654	3,4-difluorobenzaldehyde	34036-07-2	C₇H₄F₂O	详情	详情
(III)	32513	4-([1,1'-biphenyl]-4-yloxy)-3-fluorobenzaldehyde		C₁₉H₁₃FO₂	详情	详情

合成路线3

该中间体在本合成路线中的序号：(I)

The title compound was prepared by alkylation of 4-phenylphenol (I) with 1-(2-chloroethyl)pyrrolidine.HCl (II) in the presence of NaH in hot DMF.

参考文献中间体

合成目标

【1】 Penning, T.D.; Chandrakumar, N.S.; Chen, B.B.; et al.; Structure-activity relationship studies on 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine (SC-22716), a potent inhibitor of leukotriene A4 (LTA4) hydrolase. J Med Chem 2000, 43, 3, 721.

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)	32511	[1,1'-biphenyl]-4-ol	92-69-3	C₁₂H₁₀O	详情	详情
(II)	33922	1-(2-Chloroethyl)pyrrolidine; N-(2-Chloroethyl)pyrrolidine		C₆H₁₂ClN	详情	详情

Extended Information