1-methoxy-2-phenylcyclohexane | 226998-13-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methoxy-2-phenylcyclohexane
• 英文别名: methyl-(2-phenyl-cyclohexyl)-ether；Opt.-inakt. 2-Methoxy-1-phenyl-cyclohexan；Methyl-(2-phenyl-cyclohexyl)-aether；2-Phenylcyclohexyl-methylether；(2-Methoxycyclohexyl)benzene
• CAS: 226998-13-6
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: OBKHMLYNXWEQPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  邻苯基苯酚 在 sodium hydroxide 、 乙醇 、 镍 作用下， 45.0~150.0 ℃ 、19.61 MPa 条件下， 生成 1-methoxy-2-phenylcyclohexane
  参考文献：
  名称：

  The Selective Hydrogenation of Derivatives of Naphthalene and Diphenyl

  摘要：

  DOI：

  10.1021/ja01270a049

文献信息

• [EN] NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE<br/>[FR] NOUVELLES OPTIONS SYNTHÉTIQUES POUR LA FABRICATION DE (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL) PHÉNYL]-6-OXO-1(6H)-PYRIMIDINYL}1-(DIFLUOROMÉTHYL)-6-MÉTHYL-1,4,7,8,9,10-HEXAHYDRO-11,15- (METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTÉTRADECIN-5 (6H)-ONE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020210613A1

  公开（公告）日：2020-10-15

  Highly efficient methods are provided for preparing key intermediates in the synthesis of Compound (I), which are broadly applicable and can provide selected components having a variety of substituents groups.

  为合成化合物（I）的关键中间体提供了高效的方法，这些方法具有广泛的适用性，并且可以提供具有各种取代基团的选定组分。
• Radical ions in photochemistry. Sensitised (electron-transfer) photochemical reactions of some 1-phenylcycloalkenes in polar, nucleophilic solvents
  作者：Yasuo Shigemitsu、Donald R. Arnold

  DOI：10.1039/c39750000407

  日期：——

  Irradiation of 1-phenylcyclopentene, 1-phenylcyclohexane, and 2-phenylnorbornene in methanol, acetic acid-dioxan, and aqueous acetonitrile solution, with methyl p-cyanobenzoate or 1-cyanonaphthalene as sensitiser (electron-transfer), gives fair to good yields of the product resulting from anti-Markovnikov addition of the nucleophilic solvent to the olefin.

  用对氰基苯甲酸甲酯或1-氰基萘甲酸乙酯作为增感剂（电子转移），在甲醇，乙酸-二恶烷和乙腈水溶液中辐照1-苯基环戊烯，1-苯基环己烷和2-苯基降冰片烯，可得到中等至好的收率由亲核溶剂向烯烃的反马尔科夫尼科夫反加成所得到的产物。
• Charge-Density and Ring-Size Dependent Dimerization of 1-Arylcycloalkene Cation Radicals
  作者：Masanobu Kojima、Akito Ishida、Yasunao Kuriyama、Shigero Oishi

  DOI：10.1246/bcsj.73.1557

  日期：2000.7

  The γ-radiolysis of 1-arylcyclopentenes [Ar = Ph (1a); 4-ClC6H4 (1b); 4-MeC6H4 (1c); 4-MeOC6H4 (1d)] at 77 K initially gave transient absorption bands attributable to their monomer cation radicals (1a·+—1d·+), with λmax around 400 and 650—730 nm. In the case of 1a, 1b, and 1c, simultaneous formation of new absorption bands with λmax around 480—500 nm, attributable to the dimer cation radicals, was clearly observed upon warming along with a decrease in the monomer cation radical absorption bands. Using 355-nm laser photolysis at room temperature and an N-methylquinolinium salt as an electron acceptor, the rate constants for the formation of the dimer cation radicals (kdimer) and the reaction-rate constants for 1·+ with methanol (kMeOH) were determined. The reactivities of 1·+ with 1 and with methanol are discussed on the basis of the results obtained by a semiempirical molecular orbital calculation using the PM3 method. The results indicate that the reactivities of 1·+ depend not on its structure but on the charge density of the ethylene bond. In addition, dimerization of the cycloalkene cation radicals with larger ring size than 1, such as 1-phenylcyclohexene, 1-phenylcycloheptene, and 1-phenylcyclooctene cation radicals, was found to be remarkably dependent on the ring size.

  1- 芳基环戊烯 [Ar = Ph (1a)；4-ClC6H4 (1b)；4-MeC6H4 (1c)；4-MeOC6H4 (1d)]在 77 K 下的γ-射线分解最初产生了可归因于其单体阳离子自由基（1a-+-1d-+）的瞬时吸收带，λmax 分别为 400 纳米和 650-730 纳米。在 1a、1b 和 1c 的情况中，升温后明显观察到同时形成了新的吸收带，λmax 约为 480-500 纳米，归因于二聚阳离子自由基，同时单体阳离子自由基的吸收带有所减少。在室温下使用 355-nm 激光光解和 N-甲基喹啉盐作为电子受体，测定了二聚阳离子自由基的形成速率常数（kdimer）和 1-+ 与甲醇的反应速率常数（kMeOH）。根据使用 PM3 方法进行半经验分子轨道计算得出的结果，讨论了 1-+ 与 1 和甲醇的反应活性。结果表明，1-+ 的反应活性并不取决于其结构，而是取决于乙烯键的电荷密度。此外，研究还发现环径大于 1 的环烯阳离子自由基（如 1-苯基环己烯、1-苯基环庚烯和 1-苯基环辛烯阳离子自由基）的二聚化明显取决于环径。
• Arnold, Donald R.; Lamont, Laurie J.; Perrott, Allyson L., Canadian Journal of Chemistry, 1991, vol. 69, # 2, p. 225 - 233
  作者：Arnold, Donald R.、Lamont, Laurie J.、Perrott, Allyson L.

  DOI：——

  日期：——
• The photochemistry of the 4-cyanobenzoic acid esters of &lt;i&gt;trans&lt;/i&gt;- and &lt;i&gt;cis&lt;/i&gt;-2-phenylcyclohe×anol
  作者：J.A. Pincock、S. Rifai、R. Stefanova

  DOI：10.1139/cjc-79-1-63

  日期：——