2-ethylcyclohex-1-enylcarboxylic acid | 50418-52-5

• 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-ethylcyclohex-1-enylcarboxylic acid
• 英文别名: acide ethyl-2 cyclohexene carboxylique；2-Ethyl-cyclohex-1-en-carbonsaeure；2-Ethylcyclohex-1-ene-1-carboxylic acid；2-ethylcyclohexene-1-carboxylic acid
• CAS: 50418-52-5
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: FFNUWABTTPURRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (1R*,1'RS*)-1-cyclohex-2-enylethanol 在 sodium hydroxide 、 磷酸 、 苄基三乙基氯化铵 作用下， 反应 36.0h， 生成 2-ethylcyclohex-1-enylcarboxylic acid
  参考文献：
  名称：

  宝石-二溴环丙烷的活化剂-IV：宝石-二卤代环丙基甲醇的酸性催化剂

  摘要：

  通过酸催化，将宝石-二卤代环丙基羰基醇转化成均烯丙基的α-二卤代阳离子，该阳离子通常消除了卤化氢并生成了3-卤代戊二烯基阳离子，可以通过环化反应从中生成环戊烯酮。对于双环[4.1.0]庚烷，在苄基溴中观察到3-卤代戊二烯基阳离子的芳构化。

  DOI：

  10.1016/0040-4020(81)85011-9

文献信息

• PROCESS FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP2368870A1

  公开（公告）日：2011-09-28

  It has been demanded to provide a process for industrially producing an intermediate for a compound that exhibits an inhibitory effect on activated blood coagulation factor X and is useful as a preventive and/or therapeutic agent for thrombotic diseases. The present invention provides a process for producing the (R-α-phenylethylamine salt of (S)-3-cyclohexene-1-carboxylic acid, comprising reacting 3-cyclohexene-1-carboxylic acid and (R)-α-phenylethylamine using a mixed solvent of water and acetone or a mixed solvent of water and ethyl acetate as a solvent.

  已经要求提供一个工业生产中间体的过程，该中间体对激活的血凝血因子X具有抑制作用，并且可作为预防和/或治疗血栓性疾病的药物。本发明提供了一种生产(R-α-苯乙胺盐)的过程，该盐由(S)-3-环己烯-1-羧酸和(R)-α-苯乙胺在水和丙酮的混合溶剂或水和乙酸乙酯的混合溶剂中反应而成。
• Uscumlic, Gordana S.; Krstic, Vera V.; Muskatirovic, Milan D., Journal of the Chemical Society. Perkin transactions II, 1993, # 5, p. 999 - 1002
  作者：Uscumlic, Gordana S.、Krstic, Vera V.、Muskatirovic, Milan D.

  DOI：——

  日期：——
• Uumli Gordana S., Krsti Vera V., Mukatirovi Milan D., J. Chem. Soc. Perkin Trans. 2, (1993) N 5, S 999-1002
  作者：Uumli Gordana S., Krsti Vera V., Mukatirovi Milan D.

  DOI：——

  日期：——
• SANTELLI-ROUVIER, C., TETRAHEDRON, 1981, 37, N 24, 4195-4200
  作者：SANTELLI-ROUVIER, C.

  DOI：——

  日期：——
• Process for the Preparation of a Dicarboxylic Acid
  申请人：Drent Eit

  公开号：US20080194870A1

  公开（公告）日：2008-08-14

  A process for the preparation of a dicarboxylic acid, comprising the steps of (a) contacting a conjugated diene with carbon monoxide and water in the presence of a catalyst system including a source of palladium, a source of an anion and a bidentate phosphine ligand, to obtain a mixture comprising an ethylenically unsaturated acid product; (b) reacting the mixture obtained in step (a) further with carbon monoxide and water to obtain the dicarboxylic acid in admixture with the ethylenically unsaturated acid; (c) separating the dicarboxylic acid from a liquid filtrate comprising the catalyst system; and (d) recycling at least part of the obtained liquid filtrate to step (a).