6-chloro-3-methyl-2-(prop-2-en-1-yl)phenol | 1154740-69-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-chloro-3-methyl-2-(prop-2-en-1-yl)phenol
• 英文别名: 2-allyl-6-chloro-3-methylphenol；6-chloro-3-methyl-2-prop-2-enylphenol
• CAS: 1154740-69-8
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: VTTFYBYYQZKMOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 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：

  6-chloro-3-methyl-2-(prop-2-en-1-yl)phenol 在 sodium periodate 、 四氧化锇 、 potassium tert-butylate 、 水 作用下， 以 1,4-二氧六环 、 二甲基亚砜 、 叔丁醇 为溶剂， 反应 5.0h， 生成 3-氯-2-羟基-6-甲基苯甲醛
  参考文献：
  名称：

  Selective and potent agonists for estrogen receptor beta derived from molecular refinements of salicylaldoximes

  摘要：

  In a continuing effort to improve the subtype selectivity and agonist potency of estrogen receptor beta (ER beta) ligands, we have designed and developed a thus far unexplored structural series obtained by molecular refinements of monoaryl-substituted salicylaldoximes (Salaldox B). The most interesting compounds in this series (2c, d) show remarkably high ER beta-binding affinities, with K(i) values reaching the sub-nanomolar range (K(i) = 0.38 nM for 2c and 0.57 nM for 2d), and have very high levels of ER beta-subtype selectivity. Both compounds show a potent full agonist character on ER beta (EC(50) = 0.23 nM for 2c and 1.3 nM for 2d). Furthermore, 2d shows a remarkable functional subtype selectivity, with a beta/alpha transcription potency ratio 50-fold higher than that of estradiol. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.030
• 作为产物：
  描述：

  2-氯-5-甲酚 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 0.33h， 生成 6-chloro-3-methyl-2-(prop-2-en-1-yl)phenol
  参考文献：
  名称：

  [EN] INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES
  [FR] INHIBITEURS DE RÉPLICATION VIRALE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS APPLICATIONS THÉRAPEUTIQUES

  摘要：

  抑制病毒复制的化合物（I）及其制备过程和治疗用途。本发明涉及化合物，其在治疗或预防病毒性疾病，包括HIV方面的用途。

  公开号：

  WO2014057103A1

文献信息

• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009062289A1

  公开（公告）日：2009-05-22

  Compounds of formula I : wherein c, R2, R3, R4, R5, R6, R7 and R8 are defined herein, are useful as inhibitors of HIV replication.

  公式I的化合物：其中c、R2、R3、R4、R5、R6、R7和R8按本说明定义，可用作HIV复制的抑制剂。
• [EN] INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES<br/>[FR] INHIBITEURS DE RÉPLICATION VIRALE, LEUR PROCÉDÉ DE PRÉPARATION ET LEURS APPLICATIONS THÉRAPEUTIQUES
  申请人：BIODIM LAB

  公开号：WO2014057103A1

  公开（公告）日：2014-04-17

  Inhibitors of viral replication of formula (I), their process of preparation and their therapeutical uses. The present invention relates to compounds, their use in the treatment or the prevention of viral disorders, including HIV.

  抑制病毒复制的化合物（I）及其制备过程和治疗用途。本发明涉及化合物，其在治疗或预防病毒性疾病，包括HIV方面的用途。
• [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] INHIBITEURS DE LA REPLICATION DU VIRUS DE L'IMMUNODEFICIENCE HUMAINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2010130034A1

  公开（公告）日：2010-11-18

  Compounds of formula I wherein a, R1, R2, R3, R4, R5 and R6 are defined herein, are useful as inhibitors of HIV replication.

  式I中的化合物，其中a、R1、R2、R3、R4、R5和R6如本文所定义，可用作HIV复制抑制剂。
• [EN] HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016174075A1

  公开（公告）日：2016-11-03

  The present invention relates to herbicidal heteroaryl-alkyl-oxy-substituted heteroaryl/phenyl derivatives of formula (I), as well as to processes and intermediates used for the preparation of such derivatives. The invention further extends to herbicidal compositions comprising such derivatives, as well as to the use of such compounds and compositions in controlling undesirable plant growth;in particular the use in controlling weeds in crops of useful plants.

  本发明涉及公式（I）的除草杂环烷基氧取代的杂环/苯基衍生物，以及用于制备这种衍生物的过程和中间体。本发明还涉及包含这种衍生物的除草剂组合物，以及利用这些化合物和组合物控制不良植物生长的用途；特别是在有用植物作物中控制杂草的用途。
• Inhibitors of viral replication, their process of preparation and their therapeutical uses
  申请人：LABORATOIRE BIODIM

  公开号：EP2716632A1

  公开（公告）日：2014-04-09

  The present invention relates to compounds of formula (I), their use in the treatment or the prevention of viral disorders, including HIV. wherein R1, R2, R3 and R4 are as included in the claims.

  本发明涉及式(I)的化合物，它们用于治疗或预防病毒性疾病，包括HIV。其中R1、R2、R3和R4如所述的权利要求书中所包含的。