2,4,6-Me3-benzyl-(+/-)-cis-trans-chrysanthemumate | 28900-62-1

• 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: 2,4,6-Me3-benzyl-(+/-)-cis-trans-chrysanthemumate
• 英文别名: Benzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate；benzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
• CAS: 28900-62-1
• 化学式: C₁₇H₂₂O₂
• 分子量: 258.36
• InChiKey: KIODTPOSZZYFIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• METHOD FOR PRODUCING ALCOHOL COMPOUND
  申请人：Hagiya Koji

  公开号：US20120010417A1

  公开（公告）日：2012-01-12

  A method for producing an alcohol compound, wherein a carboxylic acid ester compound is reduced with hydrogen in the presence of a ruthenium complex which is obtained by reacting an imidazolium salt (A) having at least one optionally substituted amino group with a ruthenium compound (B) in the presence of a base (C).

  一种生产醇类化合物的方法，其中在存在一种铑配合物的情况下，通过将至少具有一个可选择取代氨基团的咪唑盐(A)与一种铑化合物(B)在碱(C)的存在下反应而获得的铑配合物，将羧酸酯化合物与氢气还原。
• METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR
  申请人：Aoyagi Yasutaka

  公开号：US20120029195A1

  公开（公告）日：2012-02-02

  A method for producing an alcohol compound, wherein a carboxylic acid ester compound is reduced with hydrogen in the presence of a ruthenium complex which is obtained by reacting a pyridine compound having at least one optionally substituted amino group with a ruthenium compound.

  一种制备醇化合物的方法，其中在存在一种铑配合物的条件下，将羧酸酯化合物与氢还原，所述铑配合物是通过将至少具有一个可选取代氨基团的吡啶化合物与铑化合物反应而得到的。
• Method for racemization of chrysanthemic acid or its ester
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0165070A2

  公开（公告）日：1985-12-18

  An optically active chrysanthemic acid or ester thereof is conveniently racemized with an aluminum bromide compound such as aluminum tribromide. An organic hydroperoxide should also be used for racemization of an ester, but is not always necessary for racemization of the acid.

  具有光学活性的菊酸或其酯类可方便地与溴化铝化合物（如三溴化铝）进行消旋化。 有机过氧化氢也可用于酯类的消旋化，但并不总是必须用于酸的消旋化。
• Method for racemization of optically active chrysanthemic acid or its ester
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0261824A1

  公开（公告）日：1988-03-30

  Racemization of optically active chrysanthemic acid or its ester of the formula: wherein R represents hydrogen atom or an alkyl, cycloalkyl or aralkyl group of 1-20 carbon atoms and * indicates asymmetric carbon atom, is effected by contacting it with hydrogen bromide or a phosphorus bromide compound. This method may also be effected in the presence of a peroxide or an azo compound. Further, the method of the present invention can also be used for conversion of racemic cis isomer or racemic mixture of cis and trans isomers of chrysanthemic acid into corresponding racemic trans-rich isomer.

  式中光学活性菊酸或其酯的消旋化： 式中 R 代表氢原子或 1-20 个碳原子的烷基、环烷基或芳烷基，* 代表不对称碳原子。该方法也可在过氧化物或偶氮化合物存在下进行。 此外，本发明的方法还可用于将菊酸的外消旋顺式异构体或顺式和反式异构体的外消旋混合物转化为相应的外消旋富反式异构体。
• Method for racemization of optically active chrysanthemic acid or its derivatives
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0299760A1

  公开（公告）日：1989-01-18

  Optically active chrysanthemic acid or its derivatives of the formula (wherein X represents a hydroxyl group, a halogen atom, a C₁₋₂₀ alkoxy group or a 2,2-dimethyl-3-isobutenyl-­cyclopropane carboxyl group and * mark shows asymmetric carbon atom) is racemized by allowing it to react with a bromine compound or a SH compound, in the presence of light.

  光学活性菊酸或其衍生物，其式为 (其中 X 代表羟基、卤素原子、C₁₋₂₀烷氧基或 2,2-二甲基-3-异丁烯基环丙烷羧基，* 标记表示不对称碳原子）在光照下与溴化合物或 SH 化合物反应，使其发生外消旋化。