2,2-dimethyl-3-cis,trans-(2',2',2'-trichloroethyl)-cyclopropane-1-carboxylic acid | 61976-24-7

• 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: 2,2-dimethyl-3-cis,trans-(2',2',2'-trichloroethyl)-cyclopropane-1-carboxylic acid
• 英文别名: 2,2-dimethyl-3-(2,2,2-trichloroethyl)-cyclopropane carboxylic acid；trans-2-(2',2',2'-trichloroethyl)-3,3-dimethylcyclopropane-1-carboxylic acid；2-(2',2',2'-trichloroethyl)-3,3-dimethylcyclopropanecarboxylic acid；2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropanecarboxylic acid ester；2,2-Dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic Acid-"cis major"；2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylic acid
• CAS: 61976-24-7
• 化学式: C₈H₁₁Cl₃O₂
• 分子量: 245.533
• InChiKey: NZWWZHKTQANWRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-3-cis,trans-(2',2',2'-trichloroethyl)-cyclopropane-1-carboxylic acid 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以86.8%的产率得到二氯菊酸
  参考文献：
  名称：

  Process for production of .beta.-dihalogenoethenylcyclopropane

  摘要：

  一种生产β-二卤乙烯基环丙烷衍生物的新工艺，其化学式为：##STR1## 其中R.sub.1为氢原子或烷基，R.sub.3为氢原子、低烷基、酰基、羧基或烷氧羰基基团，R为氢原子或低烷基，Y.sub.1和Y.sub.2分别为氟、氯或溴原子，是拟除虫菊酯类有用合成杀虫剂的酸性基团。该工艺包括从化学式(I)的烷基3-丁烯酮衍生物开始的一系列顺序步骤组合，可以根据以下反应方程式来表示：##STR2## 根据该工艺，通过选择阶段II-1、II-2和IV-2的反应条件，可以生产具有任何顺反异构比的化合物（VI）。

  公开号：

  US04740612A1
• 作为产物：
  描述：

  2,2-二甲基-3-(2,2,2-三氯乙基)环丙烷羧酸乙酯 生成 2,2-dimethyl-3-cis,trans-(2',2',2'-trichloroethyl)-cyclopropane-1-carboxylic acid
  参考文献：
  名称：

  OMURA, YOSHIAKI;MORI, FUMIO;FUJITA, YOSHIJI;NISHIDA, TAKASHI;HOSOGAI, TAK+

  摘要：

  DOI：

文献信息

• Process for producing cyclopropanecarboxylates
  申请人：——

  公开号：US20020151741A1

  公开（公告）日：2002-10-17

  There is disclosed a process process for producing a cyclopropanecarboxylate of formula (1): 1 which process comprises reacting cyclopropanecarboxylic acid of formula (2): 2 with a monohydroxy compound of formula (3): R 6 OH  (3), in the presence of a catalyst compound comprising an element of to Group 4 of the Periodic Table of Elements.

  披露了一种制备公式(1)所示的环丙烷甲酸酯的方法：1该方法包括将公式(2)所示的环丙烷甲酸与公式(3)所示的单一羟基化合物反应：R6OH  (3)，在含有元素周期表第4族元素的催化剂化合物存在下。
• Sulfonic acid esters of 2,2,2-trichloroethylhydroxycyclobutanones
  申请人：Ciba-Geigy Corporation

  公开号：US04255351A1

  公开（公告）日：1981-03-10

  Compounds of the formulae Ia, Ib, IIa and IIb ##STR1## are described, wherein R represents alkyl, haloalkyl, benzyl, naphthyl or substituted or unsubstituted phenyl and one of R.sub.1 and R.sub.2 represents methyl and the other represents hydrogen or methyl, or R.sub.1 and R.sub.2 together represent alkylene of 2 or 3 carbon atoms. The compound of the formulae Ia, Ib, IIa and IIb are valuable intermediates for the manufacture of pyrethroid pesticides or precursors thereof.

  描述了化学式Ia、Ib、IIa和IIb的化合物，其中R代表烷基、卤代烷基、苄基、萘基或取代或未取代的苯基，R.sub.1和R.sub.2中的一个代表甲基，另一个代表氢或甲基，或者R.sub.1和R.sub.2一起代表2或3个碳原子的烷基。化学式Ia、Ib、IIa和IIb的化合物是制造拟除虫剂或其前体的有价值的中间体。
• Chiral copper complex catalyst composition and asymmetric production process using the same
  申请人：——

  公开号：US20010037036A1

  公开（公告）日：2001-11-01

  There is disclosed chiral copper complex catalyst composition, which is obtained by contacting an optically active N-salicylideneaminoalcohol compound of formula (1): 1 with a mono-valent or di-valent copper compound in an inert solvent, wherein R 1 and R 2 represent an alkyl group and the like, X 1 and X 2 represent a hydrogen atom, a halogen atom, a nitro group, an alkyl group, an alkoxy group, a cyano group or the like, and the amount of the mono-valent or di-valent copper compound is less than 1 mole per 1 mole of the optically active N-salicylideneaminoalcohol compound of formula (1), and a process for producing an optically active cylopropane-carboxylic acid ester using the same.

  披露了手性铜配合物催化剂组合物，该组合物是通过将式（1）中的光学活性N-水杨醛亚氨基醇化合物与一价或二价铜化合物在惰性溶剂中接触而获得的，其中R1和R2代表烷基基团等，X1和X2代表氢原子、卤素原子、硝基团、烷基基团、烷氧基团、氰基团等，一价或二价铜化合物的量小于1摩尔与式（1）中的光学活性N-水杨醛亚氨基醇化合物的摩尔比，以及使用该组合物生产光学活性环丙烷羧酸酯的方法。
• Asymmetric copper complex and cyclopropanation reaction using the same
  申请人：——

  公开号：US20020177718A1

  公开（公告）日：2002-11-28

  There are disclosed asymmetric copper complex comprising, as components, (a) an optically active bisoxazoline compound of formula (1): 1 wherein R 1 and R 2 are different and each represent a hydrogen atom, an alkyl group, a cycloalkyl group, or a phenyl or aralkyl group which may be substituted, R 3 and R 4 each represent a hydrogen atom, an alkyl group, a cycloalkyl group, or a phenyl or aralkyl group which may be substituted, or R 3 and R 4 may be bonded to each other to form a C 3-5 cyclic alkylene group, R 5 represents a hydrogen atom or a C 1-6 alkyl group, or the two R 5 groups may be bonded to each other to represent a C 3-5 cyclic alkylene group, (b) a monovalent or divalent copper compound, and (c) a strong acid or a Lewis acid or a mixture thereof, and a process for producing an optically active cyclopropanecarboxylate using the same.

  揭示了包括以下组分的不对称铜络合物：（a）公式（1）的手性双噁唑啉化合物：其中R1和R2不同，每个代表氢原子、烷基、环烷基、苯基或芳基烷基，可能被取代，R3和R4每个代表氢原子、烷基、环烷基、苯基或芳基烷基，可能被取代，或者R3和R4可以相互连接形成C3-5环烷基，R5代表氢原子或C1-6烷基，或者两个R5基团可以相互连接形成C3-5环烷基；（b）一价或二价铜化合物；和（c）强酸或Lewis酸或二者混合物，以及使用它们制备手性环丙烷羧酸酯的方法。
• 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。