CAS: 165115-83-3; 1-(((2R,4R)-4-((Benzyloxy)Methyl)-2-(2,4-Difluorophenyl)Tetrahydrofuran-2-yl)Methyl)-1H-1,2,4-Triazole

英文名称1-(((2R,4R)-4-((Benzyloxy)Methyl)-2-(2,4-Difluorophenyl)Tetrahydrofuran-2-yl)Methyl)-1H-1,2,4-Triazole
中文名称1-(((2R,4R)-4-((苄氧基)甲基)-2-(2,4-二氟苯基)四氢呋喃-2-基)甲基)-1H-1,2,4-三唑
IUPAC名称1-(((2R,4R)-4-((benzyloxy)methyl)-2-(2,4-difluorophenyl)tetrahydrofuran-2-yl)methyl)-1H-1,2,4-triazole
其它别名1-(((2R,4R)-4-((Benzyloxy)Methyl)-2-(2,4-Difluorophenyl)Tetrahydrofuran-2-yl)Methyl)-1H-1,2,4-Triazole; Posaconazole Impurity 94; 1H-1,2,4-Triazole, 1-[[2-(2,4-Difluorophenyl)Tetrahydro-4-[(Phenylmethoxy)Methyl]-2-Furanyl]Methyl]-, (2R-Cis)- (9Ci); Posaconazole Impurity 91; Posacozoleimpurity66
CAS编号165115-83-3
FDA UNII编号:U836P4J7F9
分子式:C21H21F2N3O2分子量:385.41
产品CID: 838550

相似结构搜索
InChIKey: APRCKBZXDXMFER-UTKZUKDTSA-N
InChI=1S/C21H21F2N3O2/c22-18-6-7-19(20(23)8-18)21(13-26-15-24-14-25-26)9-17(12-28-21)11-27-10-16-4-2-1-3-5-16/h1-8,14-15,17H,9-13H2/t17-,21+/m1/s1
计算化学: 氢键受体数6.0氢键供体数0.0可旋转键数7.0

物理性质

沸点515.6±60.0 °C(预测)
闪点265.6±32.9 °C
密度1.28±0.1 g/cm3(预测)
pKa:2.75±0.10(预测)
PSA:49.17
LogP:3.1
溶解性Chloroform (Slightly), Ethyl Aceate (Slightly)
外观形态无色油状物
储存条件-20°C 冷藏

上下游产品

sodium triazole Benzyloxymethyl chloride benzyl bromomethyl ether 4-(2,4-Difluoro-phenyl)-pent-4-enoyl chloride (2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran ((3R,5R)-5-((1H-1,2,4-triazole-1-yl) methyl)-5-(2,4-difluorophenyl) tetrahydrofuran-3-yl)methanol

合成工艺路线路线简述

合成目标产物 1-(((2R,4R)-4-((Benzyloxy)Methyl)-2-(2,4-Difluorophenyl)Tetrahydrofuran-2-yl)Methyl)-1H-1,2,4-Triazole 主要起始原料 Benzyl Chloromethyl Ether
(文献来源)合成步骤主要原料 Benzyl Chloromethyl Ether