2-氯-1-(3-氯苯基)-乙醇 | 106262-93-5

• 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-氯-1-(3-氯苯基)-乙醇
• 英文名称: (+)-2-chloro-1-(3-chlorophenyl)ethanol
• 英文别名: 2-chloro-1-(m-chlorophenyl)ethanol；2-chloro-(3-chlorophenyl)ethanol；2-Chloro-1-(3-chloro-phenyl)-ethanol；2-chloro-1-(3-chlorophenyl)ethanol
• CAS: 106262-93-5
• 化学式: C₈H₈Cl₂O
• 分子量: 191.057
• InChiKey: LBSKQOSGSUKVDG-UHFFFAOYSA-N

物化性质

• 沸点：
  284.6±25.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  2-氯-1-(3-氯苯基)-乙醇 、 N,N-二乙基(2-氯-1,1,2-三氟乙基)胺 以74%的产率得到
  参考文献：
  名称：

  CHARLON C.; LUU-DUC C., ANN. PHARM. FR., 44,(1986) N 2, 123-132

  摘要：

  DOI：
• 作为产物：
  描述：

  间环氧乙烷氯苯 在 lithium perchlorate 、 氯化铵 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以25%的产率得到2-氯-1-(3-氯苯基)-乙醇
  参考文献：
  名称：

  A tandem enzyme reaction to produce optically active halohydrins, epoxides and diols

  摘要：

  DOI：

  10.1016/s0957-4166(99)00308-0

文献信息

• [EN] ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS FUSIONNÉS D'ACIDE CYCLOPENTANE-CARBOXYLIQUE À SUBSTITUTION ACYLAMINO, ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI AVENTIS

  公开号：WO2009135590A1

  公开（公告）日：2009-11-12

  The present invention relates to compounds of the formula (I), wherein A, Y, Z, R3 to R6, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use and pharmaceutical compositions comprising them.

  本发明涉及具有式(I)的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有权利要求中指出的含义，它们是有价值的药物活性化合物。具体而言，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体可被溶血磷脂酸（LPA）激活，也被称为LPA1受体，并且可用于治疗例如动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备式(I)化合物的方法、它们的使用以及包含它们的药物组合物。
• METHOD FOR FRACTIONATING STEREOISOMERIC COMPOUNDS
  申请人：Jakel Christoph

  公开号：US20090030235A1

  公开（公告）日：2009-01-29

  The present invention relates to a method for fractionating stereoisomeric compounds which have at least one alcohol and/or amino group.

  本发明涉及一种用于分离具有至少一种醇和/或氨基团的立体异构化合物的方法。
• Process for preparing optically active alcoholic compounds
  申请人：Kaneka Corporation

  公开号：US06187966B1

  公开（公告）日：2001-02-13

  A process for preparing optically active alcoholic compounds wherein a carbonyl compound is assymmetrically reduced in an economical and practical manner. The process comprises treating a prochiral carbonyl compound represented by the general formula (1) with an optically active organoaluminum compound represented by the general formula (2) to conduct asymmetric reduction, thereby preparing an optically active alcoholic compound represented by the general formula (3).

  一种制备光学活性醇类化合物的过程，其中以经济和实用的方式对羰基化合物进行不对称还原。该过程包括将由一般式（1）表示的可拆手的羰基化合物与由一般式（2）表示的光学活性有机铝化合物处理，进行不对称还原，从而制备由一般式（3）表示的光学活性醇类化合物。
• Process for producing optically active (r)-2-chloro-1-(3'-chlorophenly) ethanol
  申请人：——

  公开号：US20040219658A1

  公开（公告）日：2004-11-04

  The present invention discloses a process for efficiently producing, on an industrial scale, optically active (R)-2-chloro-1-(3′-chlorophenyl)ethanol which is useful as a raw material for the synthesis of medicines, agricultural chemicals, etc. The process includes allowing cells of a microorganism or a material prepared by treating the cells of the microorganism to act on 2-chloro-1-(3′-chlorophenyl)ethanone to produce (R)-2-chloro-1-(3′-chlorophenyl)ethanol, the microorganism being capable of stereoselectively reducing 2-chloro-1-(3′-chlorophenyl)ethanone to yield (R)-2-chloro-1-(3′-chlorophenyl)ethanol.

  本发明公开了一种高效工业生产光学活性(R)-2-氯-1-(3'-氯苯基)乙醇的方法，该方法可用作合成药品、农药等原材料。该方法包括将微生物的细胞或经处理的微生物细胞制备的材料作用于2-氯-1-(3'-氯苯基)乙酮，以生成(R)-2-氯-1-(3'-氯苯基)乙醇，该微生物能够立体选择性地还原2-氯-1-(3'-氯苯基)乙酮，产生(R)-2-氯-1-(3'-氯苯基)乙醇。
• Process for producing optically active halohydrin compound
  申请人：——

  公开号：US20040082820A1

  公开（公告）日：2004-04-29

  A process of preparing an optically active halohydrin compound characterized by comprising asymmetric hydrogen transfer reduction of an &agr;-haloketone compound in the presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound. The asymmetric hydrogen transfer reduction is preferably conducted in the presence of a base.

  一种制备光学活性卤代醇化合物的方法，其特征在于在存在具有取代或未取代环戊二烯基基团和光学活性二胺化合物的9族过渡金属化合物的情况下进行α-卤代酮化合物的不对称氢转移还原。最好在碱存在下进行不对称氢转移还原。