Cyclopropanecarboxylic acid, 3-(3-methoxy-2-meth | 26074-74-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Cyclopropanecarboxylic acid, 3-(3-methoxy-2-meth
• 英文别名: methyl 3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
• CAS: 26074-74-8
• 化学式: C₁₂H₁₈O₄
• 分子量: 226.27
• InChiKey: YYRMJZXCARUTDN-VOTSOKGWSA-N

物化性质

• 沸点：
  269.9±33.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Optically active bisoxazoline compounds, process for production of the same and use thereof
  申请人：Itagaki Makoto

  公开号：US20060149077A1

  公开（公告）日：2006-07-06

  Optically active bisoxazoline compounds represented by the general formula (1), a process for producing the compounds, and a process for producing cyclopropanecarboxylic esters by using the same: wherein R 1 and R 2 are the same and each represents C 1-6 alkyl, substituted or unsubstituted aralkyl, or substituted or unsubstituted phenyl or R 1 and R 2 are bonded each other together with the carbon atom of oxazoline ring to which they are bonded to form a ring; R 3 is substituted or unsubstituted naphthyl; R 4 and R 5 are the same and each represent hydrogen or C 1-6 alkyl, or R 4 and R 5 are bonded each other together with the carbon atom to which they are bonded to form a cycloalkyl ring having 3 to 6 carbon atoms; and * represents an asymmetric center.

  光学活性的双噁唑啉化合物由通式（1）表示，制备该化合物的方法以及使用该化合物制备环丙烷羧酸酯的方法： 其中，R1和R2相同，分别表示C1-6烷基，取代或未取代的芳基烷基或取代或未取代的苯基，或者R1和R2相互结合形成环，与它们所连接的噁唑环的碳原子相连；R3是取代或未取代的萘基；R4和R5相同，分别表示氢或C1-6烷基，或者R4和R5相互结合形成有3至6个碳原子的环状烷基环；*表示一个不对称中心。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND AND ASYMMETRIC COPPER COMPLEX FOR USE IN THE SAME
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP1674445A1

  公开（公告）日：2006-06-28

  A process for producing an optically active cyclopropane compound represented by the formula (4): wherein R3, R4, R5 and R6 are the same or different, and represent a hydrogen atom, a halogen atom, a substituted or unsubstituted alkyl group, and so on; and R7 represents a C1-6 alkyl group; and * represents an asymmetric carbon atom, which comprises reacting a prochiral olefin represented by the formula (2): wherein R3, R4, R5, and R6 are as described above, with a diazoacetic acid ester represented by the formula (3):         N2CHCO2R7     (3) wherein R7 is as defined above, in the presence of an asymmetric copper complex prepared from an optically active cycloalkylidenebisoxazoline compound represented by the formula (1): wherein R1 represents a hydrogen atom, a C1-6 alkyl group, and so on; R2 represents a C1-6 alkyl group and so on; and n represents an integer of 0 to 3; provided that, two R1s may be bonded each other together with the carbon atom to which they are bonded to form a ring; and * represents an asymmetric carbon atom, and a copper compound, is provided.

  一种生产由式（4）表示的光学活性环丙烷化合物的工艺： 其中 R3、R4、R5 和 R6 相同或不同，代表氢原子、卤素原子、取代或未取代的烷基等；R7 代表 C1-6 烷基；* 代表不对称碳原子、 其中包括使式 (2) 所代表的手性烯烃发生反应： 其中 R3、R4、R5 和 R6 如上所述，与式 (3) 所代表的重氮乙酸酯反应： N2CHCO2R7 (3) 其中 R7 如上定义，在由式（1）代表的光学活性环烷基亚双噁唑啉化合物制备的不对称铜络合物存在下： 其中，R1 代表氢原子、C1-6 烷基等；R2 代表 C1-6 烷基等；n 代表 0 至 3 的整数；条件是两个 R1 可与它们所键合的碳原子一起相互键合以形成环；* 代表不对称碳原子、 以及一种铜化合物。
• In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes
  申请人：California Institute of Technology

  公开号：US10208322B2

  公开（公告）日：2019-02-19

  The present invention provides methods for catalyzing the conversion of an olefin to any compound containing one or more cyclopropane functional groups using heme enzymes. In certain aspects, the present invention provides a method for producing a cyclopropanation product comprising providing an olefinic substrate, a diazo reagent, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce a cyclopropanation product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin cyclopropanation reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.

  本发明提供了使用血红素酶催化烯烃向任何含有一个或多个环丙烷官能团的化合物转化的方法。在某些方面，本发明提供了一种生产环丙烷化产物的方法，包括提供烯烃底物、重氮试剂和血红素酶；以及在反应中将各组分混合足够长的时间以生产环丙烷化产物。在其他方面，本发明提供了能够进行体内和体外烯烃环丙烷化反应的血红素酶，包括其变体和片段。本发明还提供了表达血红素酶的表达载体和宿主细胞。
• Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes
  申请人：California Institute of Technology

  公开号：US11008596B2

  公开（公告）日：2021-05-18

  The present invention provides methods for catalyzing the conversion of an olefin to any compound containing one or more cyclopropane functional groups using heme enzymes. In certain aspects, the present invention provides a method for producing a cyclopropanation product comprising providing an olefinic substrate, a diazo reagent, and a heme enzyme; and admixing the components in a reaction for a time sufficient to produce a cyclopropanation product. In other aspects, the present invention provides heme enzymes including variants and fragments thereof that are capable of carrying out in vivo and in vitro olefin cyclopropanation reactions. Expression vectors and host cells expressing the heme enzymes are also provided by the present invention.

  本发明提供了利用血红素酶催化烯烃向任何含有一个或多个环丙烷官能团的化合物转化的方法。在某些方面，本发明提供了一种生产环丙烷化产物的方法，包括提供烯烃底物、重氮试剂和血红素酶；以及在反应中将各组分混合足够长的时间以生产环丙烷化产物。在其他方面，本发明提供了能够进行体内和体外烯烃环丙烷化反应的血红素酶，包括其变体和片段。本发明还提供了表达血红素酶的表达载体和宿主细胞。
• Optically active copper catalyst composition
  申请人：Itagaki Makoto

  公开号：US20060211879A1

  公开（公告）日：2006-09-21

  There is provided an optically active copper catalyst composition comprising (a) an optically active salicylideneaminoalcohol represented by the formula (1): wherein R 1 and R 2 are the same or different, and independently represent a substituted or unsubstituted lower alkyl group, a substituted or unsubstituted aralkyl group, or a substituted or unsubstituted aryl group; X 1 and X 2 are the same or different, and independently represent a hydrogen atom, a lower alkoxy group, a nitro group, a lower alkoxycarbonyl group, a cyano group or a halogen atom; and * represents an asymmetric center, provided that both of X 1 and X 2 don't represent hydrogen atoms, (b) a monovalent or divalent copper compound, and (c-1) a lithium compound or (c-2) a compound selected from aluminum compounds having Lewis acidity, titanium compounds having Lewis acidity, boron compounds having Lewis acidity, zirconium compounds having Lewis acidity and hafnium compounds having Lewis acidity; and a process for producing an optically active cyclopropane compound by using the same.

  提供了一种光学活性铜催化剂组合物，该组合物包括 (a) 由式(1)代表的光学活性水杨基氨基醇： 其中 R 1 和 R 2 相同或不同，且各自代表取代或未取代的低级烷基、取代或未取代的芳基或取代或未取代的芳烷基； X 1 和 X 2 相同或不同，且各自代表氢原子、低级烷氧基、硝基、低级烷氧羰基、氰基或卤素原子； * 代表不对称中心，条件是两个 X 1 和 X 2 不代表氢原子、 (b) 一价或二价铜化合物，以及(c-1)锂化合物或(c-2)选自具有路易斯酸性的铝化合物、具有路易斯酸性的钛化合物、具有路易斯酸性的硼化合物、具有路易斯酸性的锆化合物和具有路易斯酸性的铪化合物的化合物；以及使用上述化合物生产光学活性环丙烷化合物的工艺。