136694-18-3

• 常用中文名：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
• 常用英文名：METHYL 3-(3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL)-2,2-DIMETHYLPROPANOATE
• CAS号：136694-18-3
• 分子式：C₃₅H₃₇ClN₂O₃S
• 分子量：601.198
• 发布时间：2018-11-24 17:15:42
• 更新时间：2025-08-23 21:10:04
• 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
• 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

物化性质

• 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

合成路线

5632-15-5 136694-17-2 ~% 136694-18-3

文献：Frenette, Richard; Hutchinson, John H.; Leger, Serge; Therien, Michel; Brideau, Christine; Chan, Chi C.; Charleson, Stella; Ethier, Diane; Guay, Jocelyne; Jones, Tom R.; McAuliffe, Malia; Piechuta, Hanna; Riendeau, Denis; Tagari, Philip; Girard, Yves Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 16 p. 2391 - 2396

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