2-异氰酸-4-(甲硫基)丁酸乙酯 | 52632-06-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-异氰酸-4-(甲硫基)丁酸乙酯
• 英文名称: (+/-)-ethyl 2-isocyanato-4-methylthiobutyrate
• 英文别名: DL-4-Methylmercapto-2-isocyanato-buttersaeure-ethylester；N-Carbonyl-DL-methioninethylester；N-carbonyl-methionine ethyl ester；N-Carbonyl-methionin-aethylester；2-Isocyanato-4-methylmercapto-buttersaeure-aethylester；2-isocyanato-4-(methylthio)-butanoic acid, ethyl ester；Ethyl 2-isocyanato-4-(methylthio)butyrate；ethyl 2-isocyanato-4-methylsulfanylbutanoate
• CAS: 52632-06-1
• 化学式: C₈H₁₃NO₃S
• mdl: MFCD00078433
• 分子量: 203.262
• InChiKey: IWXRXGRHXXLVHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  286.6±35.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-异氰酸-4-(甲硫基)丁酸乙酯 以 水 、 丙酮 为溶剂， 生成 N,N'-Bis--harnstoff
  参考文献：
  名称：

  Formation and Properties of Isocyanates Derived from Amino Ester Hydrochlorides

  摘要：

  DOI：

  10.1021/jo01351a088
• 作为产物：
  描述：

  DL-蛋氨酸乙酯盐酸盐 在 COCl₂ 作用下， 生成 2-异氰酸-4-(甲硫基)丁酸乙酯
  参考文献：
  名称：

  Goldschmidt; Wick, Justus Liebigs Annalen der Chemie, 1952, vol. 575, p. 217,230

  摘要：

  DOI：

文献信息

• ISOCYANATE PRODUCTION METHOD
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US20200115327A1

  公开（公告）日：2020-04-16

  An isocyanate production method according to the present invention is a method in which an isocyanate is produced by subjecting a carbamate to thermal decomposition, and includes: a step of preparing a mixture liquid containing the carbamate, an inactive solvent and a polyisocyanate compound; a step of conducting a thermal decomposition reaction of the carbamate by continuously introducing the mixture liquid into a thermal decomposition reactor; a step of collecting a low-boiling decomposition product by continuously extracting the low-boiling decomposition product in a gaseous state from the reactor, the low-boiling decomposition product having a boiling point lower than the polyisocyanate compound; and a step of collecting a high-boiling component by continuously extracting, from the reactor, a liquid phase component which is not collected in a gaseous state at the step of collecting the low-boiling decomposition product.

  根据本发明的一种异氰酸酯生产方法是一种通过将氨基甲酸酯经受热分解而生产异氰酸酯的方法，包括：准备含有氨基甲酸酯、无活性溶剂和多异氰酸酯化合物的混合液的步骤；通过持续将混合液引入热分解反应器对氨基甲酸酯进行热分解反应的步骤；通过持续从反应器中以气态形式提取低沸点分解产物的步骤，所述低沸点分解产物的沸点低于多异氰酸酯化合物；通过从反应器中持续提取未在收集低沸点分解产物的步骤中以气态形式收集的液相组分的步骤来收集高沸点组分。
• SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE
  申请人：HEINELT Uwe

  公开号：US20080058328A1

  公开（公告）日：2008-03-06

  The invention relates to substituted 4-phenyltetrahydroisoquinolines of formula I wherein R1-R8, N, W, X and Z are defined herein. These compounds and pharmaceutical compositions comprising them are useful in the treatment of respiratory disorders, sleep apnea, kidney disorders, high blood pressure, hypertension, disorders of the central nervous system and the like.

  该发明涉及公式I中的取代的4-苯基四氢异喹啉，其中R1-R8，N，W，X和Z在此定义。这些化合物和包括它们的药物组成物在治疗呼吸系统疾病、睡眠呼吸暂停、肾脏疾病、高血压、中枢神经系统疾病等方面是有用的。
• Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds
  申请人：ELI LILLY AND COMPANY

  公开号：EP0816309A1

  公开（公告）日：1998-01-07

  This invention relates to a novel solution phase process for the preparation of urea or thiourea combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

  本发明涉及一种新型溶液相工艺，用于制备脲或硫脲组合库。这些文库可用于药物发现，并可用于形成新型检测试剂盒的井板成分。
• Isocyanate production method
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US10968168B2

  公开（公告）日：2021-04-06

  An isocyanate production method according to the present invention is a method in which an isocyanate is produced by subjecting a carbamate to thermal decomposition, and includes: a step of preparing a mixture liquid containing the carbamate, an inactive solvent and a polyisocyanate compound; a step of conducting a thermal decomposition reaction of the carbamate by continuously introducing the mixture liquid into a thermal decomposition reactor; a step of collecting a low-boiling decomposition product by continuously extracting the low-boiling decomposition product in a gaseous state from the reactor, the low-boiling decomposition product having a boiling point lower than the polyisocyanate compound; and a step of collecting a high-boiling component by continuously extracting, from the reactor, a liquid phase component which is not collected in a gaseous state at the step of collecting the low-boiling decomposition product.

  根据本发明的异氰酸酯生产方法，是一种通过使氨基甲酸酯进行热分解来生产异氰酸酯的方法，其中包括第一步：制备含有氨基甲酸酯、非活性溶剂和多异氰酸酯化合物的混合液； 第二步：将混合液连续引入热分解反应器，进行氨基甲酸酯的热分解反应；收集低沸点分解产物的步骤，从反应器中连续提取气态的低沸点分解产物，低沸点分解产物的沸点低于多异氰酸酯化合物；以及 收集高沸点组分的步骤，从反应器中连续提取在收集低沸点分解产物步骤中未收集到的气态液相组分。
• Use of solid supported nucleophiles and electrophiles for the purification of non-peptide small molecule libraries
  作者：Stephen W. Kaldor、Miles G. Siegel、James E. Fritz、Bruce A. Dressman、Patric J. Hahn

  DOI：10.1016/0040-4039(96)01636-x

  日期：1996.9

  Solid supported nucleophiles and electrophiles are employed to expedite the work-up and purification of a variety of amine alkylations and acylations. These solid suported scavengers are particularly advantageous for the construction of non-peptide libraries in a parallel array format. Copyright (C) 1996 Elsevier Science Ltd

表征谱图