2-对氯苯基-3-甲基-2-丁醇 | 28114-98-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-对氯苯基-3-甲基-2-丁醇
• 英文名称: 2-p-Chlorphenyl-3-methyl-2-butanol
• 英文别名: 2-(4-Chlorophenyl)-3-methyl-butan-2-ol；2-(4-chlorophenyl)-3-methylbutan-2-ol
• CAS: 28114-98-9
• 化学式: C₁₁H₁₅ClO
• 分子量: 198.692
• InChiKey: SOQHNSBWDJXLCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-对氯苯基-3-甲基-2-丁醇 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 2-对氯苯基-3-甲基-2-丁烯
  参考文献：
  名称：

  Brophy,G.C. et al., Australian Journal of Chemistry, 1970, vol. 23, p. 1587 - 1603

  摘要：

  DOI：
• 作为产物：
  描述：

  异丙基氯化镁 、 对氯苯乙酮 以 乙醚 为溶剂， 生成 2-对氯苯基-3-甲基-2-丁醇
  参考文献：
  名称：

  Brophy,G.C. et al., Australian Journal of Chemistry, 1970, vol. 23, p. 1587 - 1603

  摘要：

  DOI：

文献信息

• NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF
  申请人：Dhar T.G. Murali

  公开号：US20110263494A1

  公开（公告）日：2011-10-27

  Disclosed are compounds of Formula (I) wherein: one of A and D is —N— and the other of A and D is —C—; or enantiomers, diastereomers, or pharmaceutically-acceptable salts thereof. Also disclosed are methods of using such compounds to modulate the function of glucocorticoid receptor activity and pharmaceutical compositions comprising such compounds.

  公开的是具有以下结构的化合物（I）：其中：A和D中的一个是—N—，另一个是—C—；或其对映体、非对映体异构体或药用盐。还公开了使用这些化合物调节糖皮质激素受体活性的方法和包含这些化合物的药物组合物。
• Reaktivit�t und Selektivit�t bei der Oxidation von Styrolderivaten. IV. Untersuchungen zur Oxidation von substituierten ?,?-Dimethylstyrolen
  作者：W. Y. Suprun

  DOI：10.1002/prac.19983400308

  日期：——

  The liquid phase oxidation of substituted (p-MeO-, p-Cl-, m-CF3-) 2-aryl-3-methyl-but-2-enes, of 1,1-diphenyl-2-methyl-propene, of 1-ethoxy-2-methyl-1-phenyl-propene and of 9-isopropylidene-fluorene with pure oxygen was investigated in chlorobenzene solution and in presence of cumene and of cumene hydroperoxide in the temperature range 65-125 degrees C. The product yields were determined gaschromatographically. The differences of the activation energies of epoxide formation and the parallel reactions were calculated. They amount to 19-48 kJ/mol. The epoxide selectivity increases with increasing temperature and increasing concentration of olefin. The relative chain propagation constants (k(pC=C)) were determined by competitive oxidation with cumene. The k(pC=C) values of substituted beta,beta-dimethylstyrenes can be correlated by a LFE-relationship with the ionisation energies of the olefins.
• Synthese und Reaktivität vontert-Butyl-(2-aryl-3-methyl-but-2-yl)-peroxiden
  作者：W. Ya. Suprun、D. Schulze

  DOI：10.1002/prac.19973390111

  日期：——

  tert-Butyl-(2-aryl-3-methyl-but-2-yl) peroxides (2a-d) were prepared from t-BuOOH and corresponding 2-aryl-methyl-butan-2-ols (1a-d) (Ar:p-MeO-C6H4 (a); Ph (b); p-Cl-C6H4 (C); m-CF3-C6H4 (d)) and characterized by NMR, MS and elemental analysis.Kinetic data for the thermolysis of 2a-d in cumene as the solvent were determined at 110-140 degrees C and the products analyzed. The rate constants satisfy the Hammett equation with sigma giving a rho-value of -0.73. Oxidation of 2a-d at 80 degrees C gives the corresponding acetophenones 4, epoxides 6 and hydroperoxides 8. The products of the oxidation of 2a-2d were analysed after reduction of the reaction mixtures with LiAlH4. Relative reactivities of the tertiary C-H bonds of peroxides 2 were determined by competitive oxidations. They amount to 0.115-0.275 (with respect to the tertiary C-H bond of cumene)
• Structural effects in solvolytic reactions. 43. Effect of increasing electron demand on the carbon-13 NMR shifts for 2-aryl-3-methyl-2-butyl cations. A static system becoming an equilibrating system with electron-withdrawing substituents
  作者：Herbert C. Brown、Mariappan Periasamy

  DOI：10.1021/ja00341a037

  日期：1983.2
• US8309730B2
  申请人：——

  公开号：US8309730B2

  公开（公告）日：2012-11-13