37493-34-8

• 常用中文名：1-甲基-1H-吲哚-2-羧酸甲酯
• 常用英文名：Methyl 1-methyl-1H-indole-2-carboxylate
• CAS号：37493-34-8
• 分子式：C₁₁H₁₁NO₂
• 分子量：189.21100
• 发布时间：2018-04-12 08:00:00
• 更新时间：2024-01-04 11:06:56

名称

• 中文名: 1-甲基-2-吲哚甲酸甲酯
• 英文名: methyl 1-methylindole-2-carboxylate
• 中文别名: 甲基-1-甲基-1H-吲哚-2-羧酸酯
• 英文别名: methyl N-methylindole-2-carboxylate; Methyl 1-methyl-1H-indole-2-carboxylate; 1-Methyl-1H-indole-2-carboxylic acid methyl ester; methyl 1-methyl-2-indolecarboxylate; 1-Methyl-indol-2-carbonsaeure-methylester; 1-methyl-indole-2-carboxylic acid methyl ester

物化性质

• 密度: 1.14g/cm3
• 沸点: 320.2ºC at 760mmHg
• 分子式: C₁₁H₁₁NO₂
• 分子量: 189.21100
• 闪点: 147.4ºC
• 精确质量: 189.07900
• PSA: 31.23000
• LogP: 1.96490
• 折射率: 1.565
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:31.2

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:229

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

安全

• 海关编码: 2933990090

合成路线

1202-04-6 74-88-4 ~92% 37493-34-8

文献：Sechi, Mario; Derudas, Massimiliano; Dallocchio, Roberto; Dessi, Alessandro; Bacchi, Alessia; Sannia, Luciano; Carta, Fabrizio; Palomba, Michele; Ragab, Omar; Chan, Carney; Shoemaker, Robert; Sei, Shizuko; Dayam, Raveendra; Neamati, Nouri Journal of Medicinal Chemistry, 2004 , vol. 47, # 21 p. 5298 - 5310

1477-50-5 74-88-4 ~97% 37493-34-8

文献：Dolusic, Eduard; Larrieu, Pierre; Blanc, Sebastien; Sapunaric, Frederic; Norberg, Bernadette; Moineaux, Laurence; Colette, Delphine; Stroobant, Vincent; Pilotte, Luc; Colau, Didier; Ferain, Thierry; Fraser, Graeme; Galeni, Moreno; Frre, Jean-Marie; Masereel, Bernard; Van Den Eynde, Benoit; Wouters, Johan; Frederick, Raphael Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 4 p. 1550 - 1561

1477-50-5 616-38-6 ~93% 37493-34-8

文献：Dell, Steven; Lozanov, Mario Emilov; Shieh, Wen-Chung Patent: US2004/59131 A1, 2004 ; Location in patent: Page 6 ;

1477-50-5 74-88-4 ~% 37493-34-8 76182-48-4

文献：Sankyo Company, Limited Patent: US5624935 A1, 1997 ;

1477-50-5 ~% 37493-34-8

文献：Ganton, Michael D.; Kerr, Michael A. Organic Letters, 2005 , vol. 7, # 21 p. 4777 - 4779

16136-58-6 ~% 37493-34-8

文献：Johnson et al. Journal of the American Chemical Society, 1945 , vol. 67, p. 423,428 Journal of the American Chemical Society, 1947 , vol. 69, p. 2370

81777-11-9 ~% 37493-34-8

文献：Sechi, Mario; Derudas, Massimiliano; Dallocchio, Roberto; Dessi, Alessandro; Bacchi, Alessia; Sannia, Luciano; Carta, Fabrizio; Palomba, Michele; Ragab, Omar; Chan, Carney; Shoemaker, Robert; Sei, Shizuko; Dayam, Raveendra; Neamati, Nouri Journal of Medicinal Chemistry, 2004 , vol. 47, # 21 p. 5298 - 5310

100-52-7 ~% 37493-34-8

文献：Sechi, Mario; Derudas, Massimiliano; Dallocchio, Roberto; Dessi, Alessandro; Bacchi, Alessia; Sannia, Luciano; Carta, Fabrizio; Palomba, Michele; Ragab, Omar; Chan, Carney; Shoemaker, Robert; Sei, Shizuko; Dayam, Raveendra; Neamati, Nouri Journal of Medicinal Chemistry, 2004 , vol. 47, # 21 p. 5298 - 5310

1202-04-6 ~% 37493-34-8

文献：Praveen, Chandrasekaran; Perumal, Paramasivan Thirumalai Synlett, 2011 , # 4 p. 521 - 524

上下游产品

上游产品  7
1202-04-6 74-88-4 1477-50-5 616-38-6
16136-58-6 81777-11-9 100-52-7
下游产品  10
1485-22-9 188722-87-4 24075-49-8 27421-51-8
118618-61-4 16498-68-3 16136-58-6 585571-70-6
61939-18-2 56297-43-9

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%