3-(4-methylphenyl)-3-pentanol | 22975-57-1

• 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: 3-(4-methylphenyl)-3-pentanol
• 英文别名: 3-p-tolyl-pentan-3-ol；3-p-tolylpentan-3-ol；p-<3-Hydroxy-pentyl-(3)>-toluol；p-(3-Hydroxy-pentyl-(3))-toluol；3-(4-methylphenyl)pentan-3-ol
• CAS: 22975-57-1
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: KGWBFXPHRGPYDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-(4-methylphenyl)-3-pentanol 生成 1-[3,4-Diethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
  参考文献：
  名称：

  MASLAK, PRZEMYSLAW;NARVAEZ;JAVIER, N.;KULA, JOZEF;MALINSKI, DAVID S., J. ORG. CHEM., 55,(1990) N5, C. 4550-4559

  摘要：

  DOI：
• 作为产物：
  描述：

  对氟甲苯 在 萘 、 lithium 作用下， 以 四氢呋喃 为溶剂， 反应 3.58h， 生成 3-(4-methylphenyl)-3-pentanol
  参考文献：
  名称：

  Arene-Catalysed Lithiation of Fluoroarenes

  摘要：

  The reaction of different fluoroarenes 1 with lithium and a catalytic amount (7%) of naphthalene in THF at -30 degrees C affords the corresponding aryllithium intermediates which, by reaction with several electrophiles at temperatures ranging between -30 and 0 degrees C, lead to the expected products 2, after hydrolysis. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00013-2

文献信息

• [EN] INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS<br/>[FR] MODULATEURS A BASE DE DERIVES INDOLIQUES DES RECEPTEURS NUCLEAIRES DES HORMONES STEROIDES
  申请人：LILLY CO ELI

  公开号：WO2004067529A1

  公开（公告）日：2004-08-12

  The present invention provides a compound of formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising an effective amount of a compound of Formula I in combination with a suitable carrier, diluent, or excipient, and methods for treating physiological disorders, particularly congestive heart disease, comprising administering to a patient in thereof an effective amount of a compound of Formula I.

  本发明提供了一种I式化合物或其药学上可接受的盐，包括I式化合物的有效量与适当载体、稀释剂或赋形剂组合而成的药物组合物，以及治疗生理紊乱的方法，特别是充血性心脏病，包括向患者施用I式化合物的有效量。
• Electronic effects of alkyl groups—I
  作者：J.F.A. Williams

  DOI：10.1016/s0040-4020(01)99305-6

  日期：1962.1

  The ultra-violet absorption spectra of 31 mono-aryl carbinols in concentrated sulphuric acid have been measured. The results provide direct evidence of the dependence of carbonium ion stability upon inductive and space-polarization effects.

  测定了浓硫酸中31种单芳基甲醇的紫外吸收光谱。结果提供了直接的证据，表明碳离子稳定性依赖于感应和空间极化效应。
• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES UTILES COMME INHIBITEURS DU TNF
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016149437A1

  公开（公告）日：2016-09-22

  Disclosed are compounds of Formula (I) or a salt thereof, wherein: X is N; W is: -(CR3R3)2-5-, -(CR3R3)x-Y-(CR3R3)y-, -Y-(CR3R3)2-3-Y-, -CR3R3-Y-(CR3R3)2-Y-,-Y-(CR3R3)2-Y-CR3R3-; and Y, R1, R2, R3, R5, R6, R8, x, and y are define herein. Also disclosed are methods of using such compounds as modulators of TNFα, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating inflammatory and autoimmune diseases.

  本发明涉及公式(I)化合物或其盐，其中：X为N; W为：-(CR3R3)2-5-，-(CR3R3)x-Y-(CR3R3)y-，-Y-(CR3R3)2-3-Y-，-CR3R3-Y-(CR3R3)2-Y-，-Y-(CR3R3)2-Y-CR3R3-; Y、R1、R2、R3、R5、R6、R8、x和y的定义如本文所述。此外，本发明还涉及将这些化合物用作TNFα调节剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗炎症和自身免疫性疾病方面具有用途。
• Indole-derivative modulators of steroid hormone nuclear receptors
  申请人：Bell Gregory Michael

  公开号：US20060235222A1

  公开（公告）日：2006-10-19

  The present invention provides a compound of formula I or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising an effective amount of a compound of Formula I in combination with a suitable carrier, diluent, or excipient, and methods for treating physiological disorders, particularly congestive heart disease, comprising administering to a patient in thereof an effective amount of a compound of Formula I.

  本发明提供了一种I式化合物或其药学上可接受的盐，包括与适当的载体、稀释剂或赋形剂组合的有效量的I式化合物的药物组成物，以及治疗生理障碍，特别是充血性心脏病的方法，包括向患者施用有效量的I式化合物。
• BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER
  申请人：The Royal Institution For The Advancement of Learning/McGill University

  公开号：US20140315965A1

  公开（公告）日：2014-10-23

  The present disclosure relates to novel compounds having vitamin D receptor agonist and histone deacetylase inhibitory efficacy as well as methods for reducing or inhibiting the proliferation of cancer cells or for treating cancer.

  本公开涉及具有维生素D受体激动剂和组蛋白去乙酰化酶抑制剂功效的新化合物，以及用于减少或抑制癌细胞增殖或治疗癌症的方法。