dimethyl 6-ethyl-3-hydroxyhexanedioate | 93090-86-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: dimethyl 6-ethyl-3-hydroxyhexanedioate
• 英文别名: dimethyl 3-hydroxyadipate；3HAD；Dimethyl-β-hydroxyadipat；Dimethyl 3-hydroxyhexanedioate；dimethyl 3-hydroxyhexanedioate
• CAS: 93090-86-9
• 化学式: C₈H₁₄O₅
• 分子量: 190.196
• InChiKey: DYDLEGFFUXTDAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 6-ethyl-3-hydroxyhexanedioate 在 硫酸 、 碳酸氢钠 作用下， 以 甲醇 、 水 为溶剂， 反应 22.0h， 生成 dimethyl 2-hexenedioate
  参考文献：
  名称：

  METHOD OF PRODUCING ALPHA,BETA-UNSATURATED DICARBOXYLIC ACID ESTER

  摘要：

  一种制备α，β-不饱和二羧酸酯的方法，以α-羟基须二酸酯为例，从羧酸酯（例如3-羟基己二酸酯或3-羟基己二酸-3,6-内酯酯）制备而来。在有机溶剂或有机溶剂和水的混合溶剂中，将羧酸酯置于pH 8.5至小于13的碱性条件下，可以提高α，β-不饱和二羧酸酯的选择性。

  公开号：

  US20220162148A1
• 作为产物：
  描述：

  3-氧己二酸二甲酯 在 葡萄糖 作用下， 以 水 为溶剂， 反应 24.0h， 生成 dimethyl 6-ethyl-3-hydroxyhexanedioate
  参考文献：
  名称：

  Remote substituent effects in microbial reductions of 3-ketoglutarate and 3-ketoadipate esters

  摘要：

  DOI：

  10.1016/s0040-4039(01)91216-x

文献信息

• CATALYST FOR CONVERTING ESTER TO AMIDE USING HYDROXYL GROUP AS ORIENTATION GROUP
  申请人：CHUBU UNIVERSITY EDUCATIONAL FOUNDATION

  公开号：US20210070690A1

  公开（公告）日：2021-03-11

  Provided is a method for amidating a hydroxy ester compound at a high chemical selectivity. The amidation reaction method for a hydroxy ester compound comprises, in the presence of a catalyst containing a compound of a transition metal of the group 4 or group 5 in the periodic table, reacting at least one kind of hydroxy ester compound selected from the group consisting of an α-hydroxy ester compound, a β-hydroxy ester compound, a γ-hydroxy ester compound and a δ-hydroxy ester compound with an amino compound so as to amidate an ester group having a hydroxyl group at the α-, β-, γ- or δ-position of the hydroxy ester compound.

  提供了一种在高化学选择��下对羟基酯化合物进行酰胺化的方法。对羟基酯化合物进行酰胺化反应的方法包括，在含有周期表中第4组或第5组过渡金属化合物的催化剂存在下，将从α-羟基酯化合物、β-羟基酯化合物、γ-羟基酯化合物和δ-羟基酯化合物组成的羟基酯化合物中选择的至少一种羟基酯化合物与氨基化合物反应，以酰胺化具有α-、β-、γ-或δ-位置的羟基酯化合物中的羟基基团。
• METHOD OF PRODUCING EPSILON-CAPROLACTAM
  申请人：Toray Industries, Inc.

  公开号：US20180237389A1

  公开（公告）日：2018-08-23

  A method of producing ε-caprolactam from 3-oxoadipic acid includes: step 1 of mixing at least one selected from the group consisting of 3-oxoadipic acid and salts thereof with a catalyst and a solvent in the presence of hydrogen to produce 3-hydroxyadipic acid; and step 2 of reacting the 3-hydroxyadipic acid which is a product of step 1, a salt or carboxylic acid derivative thereof, or a mixture of these with hydrogen and ammonia.

  从3-氧基己二酸生产ε-己内酰胺的方法包括：步骤1是将3-氧基己二酸和其盐之一与催化剂和溶剂混合，在氢气存在下生成3-羟基己二酸；步骤2是反应步骤1的产物3-羟基己二酸、其盐或羧酸衍生物，或这些的混合物，与氢气和氨。
• METHOD FOR PRODUCING -CAPROLACTAM
  申请人：Toray Industries, Inc.

  公开号：EP3348544A1

  公开（公告）日：2018-07-18

  A method of producing ε-caprolactam from 3-oxoadipic acid which is preferred as a biomass resource is disclosed. The method of producing ε-caprolactam includes: the step 1 of mixing at least one selected from the group consisting of 3-oxoadipic acid and salts thereof with a catalyst and a solvent in the presence of hydrogen to produce 3-hydroxyadipic acid; and the step 2 of reacting the 3-hydroxyadipic acid which is a product of the step 1, a salt or carboxylic acid derivative thereof, or a mixture of these with hydrogen and ammonia.

  本发明公开了一种利用 3-氧代己二酸生产ε-己内酰胺的方法。生产ε-己内酰胺的方法包括：步骤 1：在氢气存在下，将 3-氧代己二酸及其盐类中的至少一种与催化剂和溶剂混合，生成 3-羟基己二酸；步骤 2：将步骤 1 的产物 3-羟基己二酸、其盐或羧酸衍生物或它们的混合物与氢气和氨反应。
• Method of producing epsilon-caprolactam
  申请人：Toray Industries, Inc.

  公开号：US10364218B2

  公开（公告）日：2019-07-30

  A method of producing ε-caprolactam from 3-oxoadipic acid includes: step 1 of mixing at least one selected from the group consisting of 3-oxoadipic acid and salts thereof with a catalyst and a solvent in the presence of hydrogen to produce 3-hydroxyadipic acid; and step 2 of reacting the 3-hydroxyadipic acid which is a product of step 1, a salt or carboxylic acid derivative thereof, or a mixture of these with hydrogen and ammonia.

  用 3-氧代己二酸生产ε-己内酰胺的方法包括：步骤 1：在氢气存在下，将 3-氧代己二酸及其盐类中的至少一种与催化剂和溶剂混合，生成 3-羟基己二酸；步骤 2：将步骤 1 的产物 3-羟基己二酸、其盐或羧酸衍生物或它们的混合物与氢气和氨反应。
• Carbonylative Ring Opening of Terminal Epoxides at Atmospheric Pressure
  作者：Scott E. Denmark、Moballigh Ahmad

  DOI：10.1021/jo7014455

  日期：2007.12.1

  [GRAPHICS]The carbonylative opening of terminal epoxides under mild conditions has been developed using CO2-(CO)(8) as the catalyst. Under I atm of carbon monoxide and at room temperature in methanol, propylene oxide is converted to methyl 3-hydroxybutanoate in up to 89% yield. This transformation is general for many terminal epoxides bearing alkyl, alkenyl, aryl, alkoxy, chloromethyl, phthalimido, and acetal functional groups. The opening takes place without epimerization at the secondary stereocenter.