3-(4-chlorophenyl)-3-(2-pyridinyl)propanenitrile -Drug Synthesis Database

【结构式】

【分子编号】57812

【品名】3-(4-chlorophenyl)-3-(2-pyridinyl)propanenitrile

【CA登记号】

【分子式】C₁₄H₁₁ClN₂

【分子量】242.70752

【元素组成】C 69.28% H 4.57% Cl 14.61% N 11.54%

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：(IV)

The unsaturated nitrile (III) is prepared by Wittig reaction of 2-(4-chlorobenzoyl)pyridine (I) with phosphorane (II). Subsequent reduction of (III) with NaBH4 in boiling isopropanol provides the saturated nitrile (IV). The cyano group of (IV) is then reduced to amine (V) employing LiAlH4 in refluxing Et2O.

参考文献中间体

合成目标

【1】 Tom, W.; Aslanian, R.; West, R.; Shih, N.-Y.; Piwinski, J.J.; She, S.; Williams, S.M.; Design and synthesis of novel dual histamine H1/H3 receptor antagonists based on the H1 receptor antagonist chlorpheniramine. 223rd ACS Natl Meet (April 7 2002, Orlando) 2002, Abst MEDI 63.

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)	57809	4-(4-Chlorobenzoyl)pyridine; 4-Chlorophenyl 4-pyridyl ketone	14548-48-2	C₁₂H₈ClNO	详情	详情
(II)	57810	2-(triphenylphosphoranylidene)acetonitrile		C₂₀H₁₆NP	详情	详情
(III)	57811	(Z)-3-(4-chlorophenyl)-3-(2-pyridinyl)-2-propenenitrile		C₁₄H₉ClN₂	详情	详情
(IV)	57812	3-(4-chlorophenyl)-3-(2-pyridinyl)propanenitrile		C₁₄H₁₁ClN₂	详情	详情
(V)	57813	3-(4-chlorophenyl)-3-(2-pyridinyl)propylamine; 3-(4-chlorophenyl)-3-(2-pyridinyl)-1-propanamine		C₁₄H₁₅ClN₂	详情	详情

Extended Information