ethyl 2,2-dichlorocyclopropane-1-carboxylate | 90041-09-1

• 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
• 英文名称: ethyl 2,2-dichlorocyclopropane-1-carboxylate
• 英文别名: 1.1-Dichlor-2-ethoxycarbonylcyclopropan；ethyl 2,2-dichloro-cyclopropanecarboxylate
• CAS: 90041-09-1
• 化学式: C₆H₈Cl₂O₂
• 分子量: 183.034
• InChiKey: BNSVECUNFVIJDD-UHFFFAOYSA-N

物化性质

• 沸点：
  214.9±40.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2,2-dichlorocyclopropane-1-carboxylate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,2-二氯环丙烷羧酸
  参考文献：
  名称：

  WO2024026368A1

  摘要：

  公开号：
• 作为产物：
  描述：

  重氮乙酸乙酯 、 1,1-二氯乙烯 在 rhodium(II) pivalate 作用下， 以76%的产率得到ethyl 2,2-dichlorocyclopropane-1-carboxylate
  参考文献：
  名称：

  在新戊酸铑（II）存在下，将重氮乙酸乙酯或重氮乙酸乙酯与卤代乙烯反应

  摘要：

  在新戊酸铑（II）的存在下，重氮乙酸乙酯与偏二氯乙烯，溴乙烯和顺式-1,2-二氯乙烯反应生成相应的环丙烷羧酸酯，但四氯乙烯，三氯乙烯和反式-1,2-二氯乙烯未进行环丙烷化。这些结果表明，环丙烷羧酸盐仅可从那些具有未取代的末端或侧面的卤代乙烯获得。

  DOI：

  10.1016/s0022-328x(00)99126-5

文献信息

• Process for the preparation of carboxylic acid esters
  申请人：Souda Hiroshi

  公开号：US20050113581A1

  公开（公告）日：2005-05-26

  There is provided a process for preparing a carboxylic acid ester of formula (3): R 2 COOR 1 (3) wherein R 1 is an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aralkyl group which may be substituted, or a heteroarylalkyl group which may be substituted, and R 2 is an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aryl group which may be substituted, a heteroaryl which may be substituted, an aralkyl group which may be substituted, or a heteroarylalkyl group which may be substituted, which process is characterized by the steps of reacting a monohydroxy compound of formula (1): R 1 OH   (1) wherein R 1 is as defined above, with a zirconium compound of formula (6): Zr(OR 8 ) 4 (6) wherein R 8 is an alkyl group or an aryl group which may be substituted and is not the same as R 1 , to prepare a zirconium catalyst, and reacting a carboxylic acid of formula (2): R 2 COOH   (2) wherein R 2 is as defined above, with the monohydroxy compound of formula (1) in the presence of the zirconium catalyst.

  提供了一种制备化学式为(3)的羧酸酯的方法：R2COOR1 (3)，其中R1是可以被取代的烷基、可以被取代的烯基、可以被取代的炔基、可以被取代的芳基或可以被取代的杂芳基烷基，R2是可以被取代的烷基、可以被取代的烯基、可以被取代的炔基、可以被取代的芳基、可以被取代的杂芳基、可以被取代的芳基烷基或可以被取代的杂芳基烷基。该方法的特征在于将化学式为(1)的单羟基化合物：R1OH (1)（其中R1如上定义）与化学式为(6)的锆化合物反应：Zr(OR8)4 (6)（其中R8是可以被取代的烷基或芳基，且不同于R1），制备锆催化剂，然后在锆催化剂存在的情况下，将化学式为(2)的羧酸：R2COOH (2)（其中R2如上定义）与化学式为(1)的单羟基化合物反应。
• Tetramethylammonium salts: highly selective catalysts for the preparation of gem-dichlorocyclopropanes from electrophilic alkenes and chloroform under phase-transfer catalysis conditions
  作者：Michal Fedorynski、Wanda Ziolkowska、Andrzej Jonczyk

  DOI：10.1021/jo00074a047

  日期：1993.10
• Halomethyl metal compounds. 75. Organomercury reagents for room temperature dihalocarbene generation
  作者：Dietmar Seyferth、Carol K. Haas

  DOI：10.1021/jo00899a022

  日期：1975.5
• EP1547995B1
  申请人：——

  公开号：EP1547995B1

  公开（公告）日：2014-05-07
• PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS
  申请人：SOUDA Hiroshi

  公开号：US20080009648A1

  公开（公告）日：2008-01-10

  There is provided a process for preparing a carboxylic acid ester of formula (3): R 2 COOR 1 (3) wherein R 1 is an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aralkyl group which may be substituted, or a heteroarylalkyl group which may be substituted, and R 2 is an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aryl group which may be substituted, a heteroaryl which may be substituted, an aralkyl group which may be substituted, or a heteroarylalkyl group which may be substituted, which process is characterized by the steps of reacting a monohydroxy compound of formula (1): R 1 OH  (1) wherein R 1 is as defined above, with a zirconium compound of formula (6): Zr(OR 8 ) 4 (6) wherein R 8 is an alkyl group or an aryl group which may be substituted and is not the same as R 1 , to prepare a zirconium catalyst, and reacting a carboxylic acid of formula (2): R 2 COOH  (2) wherein R 2 is as defined above, with the monohydroxy compound of formula (1) in the presence of the zirconium catalyst.