3'-Acetoxysafrole | 42461-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 3'-Acetoxysafrole
• 英文别名: [(E)-3-(1,3-benzodioxol-5-yl)prop-1-enyl] acetate
• CAS: 42461-90-5
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.22
• InChiKey: AITBOCKNEMIZFG-QHHAFSJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 2-methyl-3-(3,4.methylenedioxyphenyl) propanal, and method for production thereof
  申请人：Ube Industries, Ltd.

  公开号：EP2562173A1

  公开（公告）日：2013-02-27

  Disclosed are: (1) a method for producing 2-methyl-3-(3,4-methylenedioxyphenyl)propanal, which comprises the step of providing a reaction mixture containing 1-acetoxy-2-methyl-3-(3,4-methylenedioxyphenyl)-1-propene by a process for reacting 1,2-methylenedioxybenzene with 2-methyl-3,3-diacetoxypropene or a process for reacting 1,2-methylenedioxybenzene, methacrolein and acetic anhydride with one another; subjecting the reaction mixture to hydrolysis or transesterification with an alcohol to provide a reaction mixture containing 2-methyl-3-(3,4-methylenedioxyphenyl)propanal; and purifying by distilling the reaction mixture, wherein a high boiling point compound contained in the reaction mixture is removed by a specific procedure; and (2) 2-methyl-3-(3,4-methylenedioxyphenyl)-propanal produced by the method, which has an acetic acid content of a less than 40 ppm, is useful as a perfume, and has a high purity.

  公开了(1) 一种生产 2-甲基-3-(3,4-亚甲二氧基苯基)丙醛的方法，包括以下步骤：通过 1,2-亚甲二氧基苯与 2-甲基-3,3-二乙酰氧基丙烯反应的工艺或 1,2-亚甲二氧基苯、甲基丙烯醛和乙酸酐相互反应的工艺，提供含有 1-乙酰氧基-2-甲基-3-(3,4-亚甲二氧基苯基)-1-丙烯的反应混合物；将反应混合物与醇进行水解或酯交换反应，以得到含有 2-甲基-3-(3,4-亚甲基二氧苯基)丙醛的反应混合物；并通过蒸馏反应混合物进行提纯，其中反应混合物中所含的高沸点化合物通过特定程序去除；(2) 用该方法制得的 2-甲基-3-(3,4-亚甲二氧基苯基)丙醛，其乙酸含量低于 40 ppm，可用作香水，纯度高。
• 2-METHYL-3-(3,4-METHYLENEDIOXYPHENYL)PROPANAL, AND METHOD FOR PRODUCTION THEREOF
  申请人：Ube Industries, Ltd.

  公开号：EP2119713B1

  公开（公告）日：2015-04-29
• METHOD OF RETAINING THE QUALITY OF 2-METHYL-3-(3,4-METHYLENEDIOXYPHENYL)PROPANAL AND PROCESS FOR PRODUCING THE SAME
  申请人：Ube Industries, Ltd.

  公开号：EP2119714B1

  公开（公告）日：2012-12-19
• Method for production of 2-methyl-3-(3,4-methylenedioxyphenyl)-propanal
  申请人：Ube Industries, Ltd.

  公开号：EP2562173B1

  公开（公告）日：2016-02-10
• JP2005239620A
  申请人：——

  公开号：JP2005239620A

  公开（公告）日：2005-09-08