methylcyclohex-1-en-4-ol acetate | 21048-53-3

• 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: methylcyclohex-1-en-4-ol acetate
• 英文别名: acetic acid-(4-methyl-cyclohex-3-enyl ester)；Essigsaeure-(4-methyl-cyclohex-3-enylester)；(+/-)-(4-Methyl-cyclohexen-(3)-yl)-acetat；(+/-)-4-Acetoxy-1-methyl-cyclohexen-(1)；4-Methyl-3-cyclohexenyl-acetat；4-Methyl-3-cyclohexenol acetate；(4-methylcyclohex-3-en-1-yl) acetate
• CAS: 21048-53-3
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: CHSSQXKKTDJYAW-UHFFFAOYSA-N

物化性质

• 沸点：
  90 °C(Press: 23 Torr)
• 密度：
  0.9693 g/cm3(Temp: 420 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-氧代-环己基乙酸酯 在 potassium hydrogensulfate 作用下， 90.0 ℃ 、66.66 Pa 条件下， 生成 methylcyclohex-1-en-4-ol acetate
  参考文献：
  名称：

  Inhoffen; Weissermel; Quinkert, Chemische Berichte, 1955, vol. 88, p. 1313,1320

  摘要：

  DOI：

文献信息

• Cyclohexyl- and cyclohexenyl-substituted liquid crystals with low birefringence
  申请人：Displaytech, Inc.

  公开号：US06413448B1

  公开（公告）日：2002-07-02

  A liquid crystal composition comprising a host material and a low birefringence liquid crystal composition of the formula: R1—Ar—R2 wherein R1 and R2, independently of one another, are selected from the group consisting of internally branched alkyl groups having from 4 to 20 carbon atoms, terminally branched alkyl groups having from 3 to 20 carbon atoms, internally branched alkenyl groups having from 3 to 20 carbon atoms and terminally branched alkenyl groups having from 4 to 20 carbon atoms, wherein one or more —CH2— groups in R1 and R2 may be independently replaced with O, said R1 or R2, independently of one another, can be partially or fully halogenated, and wherein one or both of said R1 and R2 can be absent; Ar is a ring core moiety of the general formula: wherein Cyc is a cyclohexyl ring or a cyclohexenyl ring; RX is a phenyl ring which may be optionally substituted with one or more fluorines; RY is a cyclohexyl or cyclohexenyl ring; wherein x and y are 1 and z is 0; wherein A is COO; and B is selected from the group of small alkyl or alkenyl group having from 1 to 8 carbon atoms, COO and OCO; wherein a and b are 1 and d is zero.

  一种液晶组合物，包括宿主材料和低双折射液晶组合物，其化学式为：R1—Ar—R2，其中R1和R2独立地选自以下组中的一种：内部支链烷基，碳数为4到20；末端支链烷基，碳数为3到20；内部支链烯基，碳数为3到20；末端支链烯基，碳数为4到20；其中R1和R2中的一个或多个—CH2—基团可以独立地被O取代，R1或R2中的一个或两个可以部分或完全卤代，其中R1和R2中的一个或两个可以不存在；Ar是一个环核心基团，通式为：其中Cyc是一个环己基环或环己烯基环；RX是苯环，可以选择性地被一个或多个氟取代；RY是环己基或环己烯基环；其中x和y为1，z为0；其中A为COO；B选自具有1到8个碳原子的小烷基或烯基组，COO和OCO之一；其中a和b为1，d为零。
• METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES
  申请人：Signal Pharmaceuticals, LLC

  公开号：EP3738954A1

  公开（公告）日：2020-11-18

  The invention provides a method of preparing compound of formula (iv), by contacting the compound of formula (iii) with R1NH2 in the presence of a base or a Lewis acid, in a solvent as defined herewith. The invention further provides a compound of formula (iii), and tautomers thereof, wherein R2 is substituted or unsubstituted C1-8 alkyl, or substituted saturated cycloalkyl as defined herein.

  本发明提供了一种制备式 (iv) 化合物的方法、 在碱或路易斯酸存在下，在如本文所定义的溶剂中将式 (iii) 化合物与 R1NH2 接触。本发明进一步提供了一种式（iii）化合物、 及其同系物，其中 R2 是本文定义的取代或未取代的 C1-8 烷基或取代的饱和环烷基。
• 131. Researches on acetylenic compounds. Part XVII. The preparation of substituted 1-acetylcyclohexenes from 4-benzoyloxycyclohexanone
  作者：E. R. H. Jones、F. Sondheimer

  DOI：10.1039/jr9490000615

  日期：——
• Braude et al., Journal of the Chemical Society, 1958, p. 3336,3340
  作者：Braude et al.

  DOI：——

  日期：——
• Oxidative esterification of alkenes via π- and σ-organopalladium complexes: new pathways for the reaction
  作者：N.Yu. Kozitsyna、A.A. Bukharkina、M.V. Martens、M.N. Vargaftik、I.I. Moiseev

  DOI：10.1016/s0022-328x(01)00825-7

  日期：2001.11

  New mechanistic data on the oxidative esterification of alkenes were obtained in the study of the reaction of Pd(II) acetate with hex-1-ene, methylcyclohex-1-ene and racemic a-pinene in a chloroform solution. High yields of unsaturated esters with terminal alcohol group were found in the oxidation of hex-l-ene, while the exocyclic methyl groups in methyleyclohex-1-ene and a-pinene remain untouched. (C) 2001 Elsevier Science B.V. All rights reserved.