2,2,2-trichloroethyl chlorothioformate | 54489-34-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2,2,2-trichloroethyl chlorothioformate
• 英文别名: O-(2,2,2-trichloroethyl) chloromethanethioate
• CAS: 54489-34-8
• 化学式: C₃H₂Cl₄OS
• 分子量: 227.926
• InChiKey: JIBAEWYZMHBYND-UHFFFAOYSA-N

物化性质

• 沸点：
  218.5±45.0 °C(Predicted)
• 密度：
  1.688±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 2,2,2-trichloroethyl chlorothioformate 在 三乙胺 作用下， 反应 1.0h， 以90%的产率得到O-methyl O-(2,2,2-trichloroethyl) thiocarbonate
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n
• 作为产物：
  描述：

  硫光气 、 2,2,2-三氯乙醇 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到2,2,2-trichloroethyl chlorothioformate
  参考文献：
  名称：

  Constructing the OCF₂O Moiety Using BrF₃

  摘要：

  A general preparation for aromatic and aliphatic, cyclic as well as linear, symmetric and asymmetric difluoromethylenedioxy derivatives is described. The alcohols were reacted with thiophosgene to give thiocarbonates, which in turn were reacted with BrF(3). The fluorination step is complete in seconds with moderate to high yields under mild conditions.

  DOI：

  10.1021/jo801116n

文献信息

• Polymorph and process for preparing same
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030109703A1

  公开（公告）日：2003-06-12

  Disclosed are processes, polymorph and intermediate compounds for preparing aryl- and heteroaryl-substituted urea compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. The product compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. 1

  本文披露了用于制备式(I)的芳基和杂芳基取代脲化合物的过程、多形态和中间化合物，其中Ar1、Ar2、L、Q和X如本文所述。所得化合物在制备药物组合物中有用，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。
• Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20030181718A1

  公开（公告）日：2003-09-25

  Disclosed are novel processes and novel intermediate compounds for preparing aryl-and heteroaryl-substituted urea compounds of the formula(I) wherein Ar 1 , Ar 2 , L, Q and X are described herein. The product compounds are useful in pharmaceutic compositions for treating diseases or pathological conditions involving inflammation such as chronic inflammatory diseases. 1

  本发明涉及制备式(I)中的芳基和杂芳基取代的脲化合物的新工艺和新中间体化合物，其中Ar1，Ar2，L，Q和X如本文所述。所得的化合物可用于制备药物组合物，用于治疗涉及炎症的疾病或病理条件，如慢性炎症性疾病。
• PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS
  申请人：Boehringer Ingelheim Pharmaceuticals Inc.

  公开号：EP1200411B1

  公开（公告）日：2005-12-14
• NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP1200411A2

  公开（公告）日：2002-05-02
• US3978078A
  申请人：——

  公开号：US3978078A

  公开（公告）日：1976-08-31