isopropyl carbamoyl chloride | 38955-43-0

• 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
• 英文名称: isopropyl carbamoyl chloride
• 英文别名: N-isopropyl-carbamic acid chloride；Isopropylcarbamic chloride；N-propan-2-ylcarbamoyl chloride
• CAS: 38955-43-0
• 化学式: C₄H₈ClNO
• mdl: MFCD19217025
• 分子量: 121.567
• InChiKey: MFPXPCGVNXPRLZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  isopropyl carbamoyl chloride 在 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 10.0h， 以94.64%的产率得到异氰酸异丙酯
  参考文献：
  名称：

  异氰酸异丙酯的合成方法

  摘要：

  本发明公开了一种异氰酸异丙酯的合成方法，包括如下步骤：选取异丙氨基甲酰氯，在有机溶剂中，在催化剂催化下，于温度50‑160℃下反应4‑15h通过热分解获得异氰酸异丙酯，反应方程式为：本发明工艺路线先进，避开了剧毒的光气和双光气，操作简单安全，反映收率高，生产成本低，基本无三废，具有较大的实施价值和社会经济效益。

  公开号：

  CN107162934A

文献信息

• Manufacture of aliphatic isocyanates
  申请人：BASF Aktiengesellschaft

  公开号：US03969389A1

  公开（公告）日：1976-07-13

  Aliphatic isocyanates are manufactured by thermal decomposition of aliphatic carbamic acid halides at a temperature not less than 25.degree.C above their boiling points in the presence of higher-boiling organic solvents and subsequent isolation of the resulting aliphatic isocyanate from the decomposition mixture. The isocyanates which may be manufactured by the process of the invention are valuable starting materials for the manufacture of plant protection agents, pesticides, dyes, synthetic resins and plastics, hydrophobic agents for textiles, detergents, bleaches and adhesives.

  脂肪族异氰酸酯是通过在较高沸点以上25摄氏度的温度下，在较高沸点的有机溶剂存在下，通过脂肪族碳酸酯卤化物的热分解制造的，并随后从分解混合物中分离得到所得的脂肪族异氰酸酯。根据本发明的工艺可以制造的异氰酸酯是制造植物保护剂、杀虫剂、染料、合成树脂和塑料、纺织品疏水剂、洗涤剂、漂白剂和粘合剂的宝贵起始原料。
• Process for the preparation of an aliphatic monoisocyanate
  申请人：Bayer Aktiengesellschaft

  公开号：US04146550A1

  公开（公告）日：1979-03-27

  This invention relates to an improved process for the preparation of an aliphatic monoisocyanate from the corresponding carbamic acid chloride. The carbamic acid chloride is reacted with an active hydrogen compound. The reaction is conducted in the presence of a solvent which is inert under the reaction conditions. Addition compounds are formed with the elimination of hydrogen chloride. The addition compounds are subsequently decomposed by heat into the desired isocyanate with the mixture also containing the active hydrogen compound. The monoisocyanate is subsequently removed by distillation.

  这项发明涉及一种改进的工艺，用于从相应的碳酸酰氯制备脂肪族单异氰酸酯。碳酸酰氯与活性氢化合物发生反应。在反应条件下存在一种惰性溶剂。生成加合物并消除氯化氢。随后，通过加热将加合物分解为所需的异氰酸酯，混合物中还含有活性氢化合物。单异氰酸酯随后通过蒸馏去除。
• Synthesis and biological evaluation of bicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes
  作者：Tang Peng Cho、Lin Zhi Gang、Yang Fang Long、Wang Yang、Wang Qian、Zhang Lei、Luo Jing Jing、Feng Ying、Yan Pang Ke、Leng Ying、Feng Jun

  DOI：10.1016/j.bmcl.2010.04.138

  日期：2010.6

  A series of novel bicyclo[3.3.0]octane derivatives have been synthesized and found to be dipeptidyl peptidase 4 (DPP-4) inhibitors. Compounds 10a and 10b demonstrate good efficacies in oral glucose tolerance tests.

  已合成了一系列新颖的双环[3.3.0]辛烷衍生物，发现它们是二肽基肽酶4（DPP-4）抑制剂。化合物10a和10b在口服葡萄糖耐量试验中显示出良好的疗效。
• Manufacture of alkyl isocyanates
  申请人：BASF Aktiengesellschaft

  公开号：US03991094A1

  公开（公告）日：1976-11-09

  Aliphatic isocyanates are manufactured by thermal decomposition of aliphatic carbamic acid halides, an inert gas being passed in during the decomposition and being removed together with the hydrogen halide formed. The isocyanates which may be manufactured by the process of the invention, particularly ethyl isocyanate, n-propyl isocyanate and isopropyl isocyanate, are valuable starting materials for the manufacture of plant protection agents, pesticides, dyes, synthetic resins, plastics, hydrophobic agents for textiles, detergents, bleaches and adhesives.

  脂肪族异氰酸酯是通过烷基羰酸卤化物的热分解制造的，分解过程中通过惰性气体，同时将生成的氢卤酸一起移除。可以通过本发明的方法制造的异氰酸酯，特别是乙基异氰酸酯、正丙基异氰酸酯和异丙基异氰酸酯，是制造植物保护剂、杀虫剂、染料、合成树脂、塑料、纺织品疏水剂、洗涤剂、漂白剂和粘合剂的宝贵起始原料。
• Selective, centrally acting serotonin 5-HT2 antagonists. 1. 2- and 6-Substituted 1-phenyl-3-(4-piperidinyl)-1H-indoles
  作者：Jens Perregaard、Kim Andersen、John Hyttel、Connie Sanchez

  DOI：10.1021/jm00104a006

  日期：1992.12

  1-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-imidazolidinones has been synthesized. The 1-position of the indole is substituted with phenyl groups and in the 2- or 6-positions are additional substituents. An analogous series with the imidazolidinone ring opened to corresponding urea derivatives was also prepared. High potency and selectivity for 5-HT2 receptors (as compared with D2 and alpha 1 receptor affinities)

  合成了一系列的1- [2- [4-（1H-吲哚-3-基）-1-哌啶基]乙基] -2-咪唑啉酮。吲哚的1-位被苯基取代，在2-或6-位是另外的取代基。还制备了类似的系列，其中咪唑烷酮环开向相应的脲衍生物。用中等大的取代基（如6-氯，6-甲基和6-三氟甲基或2-甲基取代基）获得了对5-HT2受体的高效力和选择性（与D2和α1受体亲和力相比）。较大的6-取代基（例如异丙基）会大大降低活性，而较小的6-氟取代基则会提供非选择性化合物。通过将6-取代基与未取代的1-苯基和取代的1-苯基（2-F，4-F，4-Cl）结合，发现了选择性5-HT2拮抗剂。然而，苯基的3-取代显着降低了5-HT2受体的亲和力，尤其是在3-三氟甲基取代基的情况下。在咪唑烷酮环中引入3-（2-丙基）取代基降低了与α1肾上腺素能受体的结合，为3-8倍。与3-未取代的衍生物相比，该取代基的存在实际上未发现对5-HT2和D2受体亲和力