3-(3-methylphenyl)-3-pentanol | 76481-36-2

• 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-(3-methylphenyl)-3-pentanol
• 英文别名: 3-(3-methylphenyl)pentan-3-ol
• CAS: 76481-36-2
• 化学式: C₁₂H₁₈O
• 分子量: 178.274
• InChiKey: HHOACUYWXZHSKC-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-(3-methylphenyl)-3-pentanol 生成 1-[3,4-diethyl-4-(3-methylphenyl)hexan-3-yl]-3-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：

  3-氟甲苯 在 萘 、 lithium 作用下， 以 四氢呋喃 为溶剂， 反应 3.58h， 生成 3-(3-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] 1,3,5 -TRIAZINE-2-AMINE DERIVATIVES, PREPARATION THEREOF AND DIAGNOSTIC AND THERAPEUTIC USE THEREOF<br/>[FR] DÉRIVÉS DE 1,3,5-TRIAZINE-2-AMINE, PROCÉDÉ DE PRÉPARATION DE CEUX-CI ET UTILISATION DIAGNOSTIQUE ET THÉRAPEUTIQUE DE CES DÉRIVÉS
  申请人：SANOFI SA

  公开号：WO2013087643A1

  公开（公告）日：2013-06-20

  The present invention relates to compounds corresponding to formula (I) in which: - R1 represents a substituted phenyl; - R2 represents: - a substituted phenyl; - a heteroaromatic group, the said group being unsubstituted or substituted one or more times; - R3 represents a group Alk; - R4 represents a hydrogen atom or a (C1-C4)alkyl; - R5 represents a hydrogen atom, a (C3-C6)cycloalkyl or a (C1-C4)alkyl-O-Alk; - or alternatively R4 and R5, together with the nitrogen atom to which they are attached, constitute a heterocyclic radical chosen from: azetidin-1-yl, pyrrolidin-1-yl, piperid-1-yl, morpholin-4-yl; - R6 represents a group -COOAlk, a group -CONH 2 or a group -NHSO 2 Alk; - Alk represents a (C1-C4)alkyl, which is unsubstituted or substituted one or more times with a halogen atom; in the form of the base or of an acid-addition salt. Preparation process and diagnostic and therapeutic use.

  本发明涉及与以下式（I）对应的化合物：- R1代表取代苯基；- R2代表：- 取代苯基；- 杂芳基团，所述基团未取代或取代一次或多次；- R3代表羟基烷基基团；- R4代表氢原子或（C1-C4）烷基；- R5代表氢原子，（C3-C6）环烷基或（C1-C4）烷基-O-烷基；- 或者R4和R5，连同它们连接的氮原子，构成从以下中选择的杂环基团：氮杂环丙烷-1-基，吡咯烷-1-基，哌啶-1-基，吗啉-4-基；- R6代表-羟基烷基基团，-酰胺基或-NHSO2烷基基团；- 烷基代表未取代或取代一次或多次的（C1-C4）烷基，其上带有卤原子；以碱或酸盐的形式。制备过程和诊断和治疗用途。
• Bisphenyl compounds useful as vitamin D3 receptor agonists
  申请人：Wallace David

  公开号：US20060025474A1

  公开（公告）日：2006-02-02

  The present invention discloses bisphenyl compounds of the formula: wherein R1, R2, R3, R4, R5, R6, X, Y, W are defined herein after. These compounds are useful as pharmaceuticals.

  本发明公开了以下式子的双苯基化合物：其中R1，R2，R3，R4，R5，R6，X，Y，W的定义见下文。这些化合物可用作药物。
• Transition-state polarization in cleavage of carbon-carbon bonds in radical anions
  作者：Przemyslaw Maslak、Javier N. Narvaez、Jozef Kula、David S. Malinski

  DOI：10.1021/jo00302a017

  日期：1990.7
• Access to “Friedel–Crafts-Restricted” <i>tert</i>-Alkyl Aromatics by Activation/Methylation of Tertiary Benzylic Alcohols
  作者：Joshua A. Hartsel、Derek T. Craft、Qiao-Hong Chen、Ming Ma、Paul R. Carlier

  DOI：10.1021/jo202371c

  日期：2012.4.6

  Herein we describe a two-step protocol to prepare m-tert-alkylbenzenes. The appropriate tertiary benzylic alcohols are activated with SOCl2 or concentrated HCl and then treated with trimethylaluminum, affording the desired products in 68-97% yields (22 examples). This reaction sequence is successful in the presence of a variety of functional groups, including acid-sensitive and Lewis-basic groups. In addition to t-Bu groups, 1,1-dimethylpropyl and 1-ethyl-1-methylpropyl groups can also be installed using this method.
• MASLAK, PRZEMYSLAW;NARVAEZ;JAVIER, N.;KULA, JOZEF;MALINSKI, DAVID S., J. ORG. CHEM., 55,(1990) N5, C. 4550-4559
  作者：MASLAK, PRZEMYSLAW、NARVAEZ、JAVIER, N.、KULA, JOZEF、MALINSKI, DAVID S.

  DOI：——

  日期：——