2,2-Dimethyl-3-(prop-1-enyl)-cyclopropancarbonsaeure-ethylester | 1802-03-5

• 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-(prop-1-enyl)-cyclopropancarbonsaeure-ethylester
• 英文别名: ethyl 3,3-dimethyl-2-(1-propenyl)cyclopropanecarboxylate；ethyl 2,2-dimethyl-3-(1-propenyl)cyclopropanecarboxylate；Ethyl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate
• CAS: 1802-03-5
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: XJEUICIAZMXERK-UHFFFAOYSA-N

物化性质

• 沸点：
  72-74 °C(Press: 0.4 Torr)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Process for racemizing optically active vinyl-substituted cyclopropanecarboxylic acid compound
  申请人：——

  公开号：US20030032839A1

  公开（公告）日：2003-02-13

  There is disclosed a process for the racemization of a vinyl-substituted cyclopropanecarboxylic acid or a derivative thereof, which is characterized by reacting an optically active vinyl-substituted cyclopropanecarboxylic acid compound of formula (1): 1 wherein R 1 , R 2 , R 3 and R 4 each independently represent a hydrogen atom, a halogen atom, alkyl which may be substituted having 1-4 carbon atoms, aryl which may be substituted, or alkoxycarbonyl which may be substituted, or R 1 and R 2 are bonded to form an alkylene group, which may be substituted; and wherein X represents hydroxyl, a halogen atom, alkoxy which may be substituted having 1-20 carbon atoms, or aryloxy which may be substituted, with a nitric compound or a nitrogen oxide.

  揭示了一种用于光学异构体化的乙烯基取代环丙基羧酸或其衍生物的过程，其特征在于将化合物式（1）的光学活性乙烯基取代环丙基羧酸化合物与硝基化合物或氮氧化合物反应，其中式中R1、R2、R3和R4分别独立表示氢原子、卤素原子、可能被取代的具有1-4个碳原子的烷基、可能被取代的芳基、或可能被取代的烷氧羰基；或者R1和R2结合形成可能被取代的烷基基团；X代表羟基、卤素原子、可能被取代的具有1-20个碳原子的烷氧基，或可能被取代的芳氧基。
• 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。
• Metallized mesoporous silicate and method of oxidation with the same
  申请人：Hagiya Koji

  公开号：US20050090688A1

  公开（公告）日：2005-04-28

  A metallized mesoporous silicate which is obtained by (i) reacting (a) either a metal peroxide obtained by the reaction of an aqueous hydrogen peroxide solution with at least one metal or metal compound selected from the group consisting of the following 1) to 4) 1) tungsten 2) molybdenum 3) vanadium 4) compounds comprising 4 a ) any of tungsten, molybdenum, and vanadium and 4 b ) at least one element selected from Groups 13 to 16 (excluding oxygen) or a solution of the metal peroxide with (b) a silicon compound in the presence of an alkylamine or a quaternary ammonium salt and separating the resultant silicate; and a process for producing the metallized mesoporous silicate. Also provided is a method of organic synthesis with the silicate.

  一种金属化介孔硅酸盐，其通过以下步骤获得：(i)在烷基胺或季铵盐存在下，将(a)氢氧化物和至少选择自以下1)至4)中的一种金属或金属化合物反应得到的金属过氧化物1)钨2)钼3)钒4)包含4a)钨、钼和钒和4b)至少选择自第13至16组(不包括氧)的元素的化合物或金属过氧化物的溶液与(b)硅化合物反应，并分离所得的硅酸盐；以及生产金属化介孔硅酸盐的方法。同时提供一种使用该硅酸盐进行有机合成的方法。
• METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1473275A1

  公开（公告）日：2004-11-03

  A metallized mesoporous silicate which is obtained by (i) reacting (a) either a metal peroxide obtained by the reaction of an aqueous hydrogen peroxide solution with at least one metal or metal compound selected from the group consisting of the following 1) to 4) 1) tungsten 2) molybdenum 3) vanadium 4) compounds comprising 4a) any of tungsten, molybdenum, and vanadium and 4b) at least one element selected from Groups 13 to 16 (excluding oxygen) or a solution of the metal peroxide with (b) a silicon compound in the presence of an alkylamine or a quaternary ammonium salt and separating the resultant silicate; and a process for producing the metallized mesoporous silicate. Also provided is a method of organic synthesis with the silicate.

  一种金属化介孔硅酸盐，它是通过(i)使(a)过氧化氢水溶液与至少一种选自以下组别的金属或金属化合物反应而得到的过氧化金属1)至4)1)钨2)钼3)钒4)包括4a)钨、钼和钒中的任何一种和4b)至少一种选自第13至16组的元素(不包括氧)的化合物或过氧化金属的溶液与(b)硅化合物反应而得到的、钼和钒以及 4b) 至少一种选自第 13 组至第 16 组的元素（不包括氧）的化合物，或在烷基胺或季铵盐存在下，过氧化金属与 (b) 硅化合物的溶液，并分离得到的硅酸盐；以及生产金属化介孔硅酸盐的工艺。此外，还提供了一种用硅酸盐进行有机合成的方法。
• PROCESS FOR PRODUCTION OF (1-ALKENYL)CYCLOPROPANES
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1728781A1

  公开（公告）日：2006-12-06

  A method for producing a (1-alkenyl)cyclopropane compound represented by the formula (2): wherein R1 and R2 are the same or different, and independently represent a hydrogen atom, an optionally substituted alkyl group, an optionally substituted alkenyl group, an optionally substituted alkynyl group, an optionally substituted aryl group or an optionally substituted aralkyl group, which comprises bringing a (2-formyl-1-alkenyl)cyclopropane compound represented by the formula (1): wherein R1 and R2 are the same as defined above, into contact with a palladium catalyst.

  一种生产由式（2）代表的（1-烯基）环丙烷化合物的方法： 其中 R1 和 R2 相同或不同，并各自代表氢原子、任选取代的烷基、任选取代的烯基、任选取代的炔基、任选取代的芳基或任选取代的芳烷基、 其中包括加入由式（1）代表的（2-甲酰基-1-烯基）环丙烷化合物： 其中 R1 和 R2 与上述定义相同，与钯催化剂接触。