3-(3-(叔丁基硫基)-1-(4-氯苄基)-5-(喹啉-2-基甲氧基)-1H-吲哚-2-基)-2,2-二甲基丙酸甲酯

• 常用名: 3-(3-(叔丁基硫基)-1-(4-氯苄基)-5-(喹啉-2-基甲氧基)-1H-吲哚-2-基)-2,2-二甲基丙酸甲酯
• 英文名: METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE
• CAS号: 136694-18-3
• 分子量: 601.198
• 密度: 1.2±0.1 g/cm3
• 沸点: 723.8±60.0 °C at 760 mmHg
• 分子式: C₃₅H₃₇ClN₂O₃S
• 熔点: 170-172 °C
• 闪点: 391.5±32.9 °C

用途

This product is Informer compound X18 of the Aryl halide chemistry informer library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S.. Inc., Kennilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

名称

• 中文名: 3-(3-(叔丁基硫代)-1-(4-氯苄基)-5-(喹啉-2-基甲氧基)-1H-吲哚-2-基)-2,2-二甲基丙酸甲酯
• 英文名: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 723.8±60.0 °C at 760 mmHg
• 熔点: 170-172 °C
• 分子式: C₃₅H₃₇ClN₂O₃S
• 分子量: 601.198
• 闪点: 391.5±32.9 °C
• 精确质量: 600.221313
• PSA: 78.65000
• LogP: 8.73
• 外观性状: 白色粉末
• 蒸汽压: 0.0±2.3 mmHg at 25°C
• 折射率: 1.602
• 储存条件: 室温

英文别名

• Methyl 3-[1-(4-chlorobenzyl)-3-[(2-methyl-2-propanyl)sulfanyl]-5-(2-quinolinylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoate
• 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)-, methyl ester