2-氯-1-(3,4-二氯苯基)-乙醇 | 53065-95-5

• 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-(3,4-二氯苯基)-乙醇
• 英文名称: Dichlorphenyl-2-chloraethanol
• 英文别名: 2-chloro-1-(3,4-dichlorophenyl)ethan-1-ol；2-Chloro-1-(3,4-dichloro-phenyl)-ethanol；2-chloro-1-(3,4-dichlorophenyl)ethanol
• CAS: 53065-95-5
• 化学式: C₈H₇Cl₃O
• 分子量: 225.502
• InChiKey: LKALNWLBXMXTJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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-(3,4-二氯苯基)-乙醇 在 氨 作用下， 以 乙醇 为溶剂， 生成 [2-(3,4-二氯苯基)-2-羟基乙基]氯化铵
  参考文献：
  名称：

  Bercher; Ehlers; Grisk, Pharmazie, 1976, vol. 31, # 6, p. 351 - 354

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3',4'-三氯苯乙酮 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 2-氯-1-(3,4-二氯苯基)-乙醇
  参考文献：
  名称：

  Tandem Concurrent Processes: One-Pot Single-Catalyst Biohydrogen Transfer for the Simultaneous Preparation of Enantiopure Secondary Alcohols

  摘要：

  A novel one-pot tandem biohydrogen transfer process to concurrently obtain two enantiopure sec-alcohols is presented; thus, using a suitable single enzyme and a catalytic amount of cofactor, several interesting building blocks could be easily achieved in an enantiocomplementary fashion, minimizing dramatically the quantity of reagents usually employed in the "coupled-substrate" approach.

  DOI：

  10.1021/jo802350f

文献信息

• Method of manufacturing optically active (-)-2-halo-1-(substituted
  申请人：Kanegafuchi Kagaku Kogyo Kabushiki Kaisha

  公开号：US05266485A1

  公开（公告）日：1993-11-30

  A method is proposed for manufacturing (-)-2-bromo-1-(3'-chlorophenyl) ethanol by bringing a 2-bromo-1-(3'-chlorophenyl) ethanone into contact with a microorganism belonging to 9 genuses including Ashbya genus and Brettanomycess genus to thereby reduce it asymmetrically into (-)-2-bromo-1-(3'-chlorophenyl) ethanol, and for manufacturing (-)-substituted styrene oxide by cyclizing the obtained alcohol under alkaline conditions. The (-)-substituted styrene oxide can be manufactured efficiently.

  提出了一种制造(-)-2-溴-1-(3'-氯苯基)乙醇的方法，将2-溴-1-(3'-氯苯基)乙酮与属于9个属的微生物（包括Ashbya属和Brettanomycess属）接触，使其不对称还原为(-)-2-溴-1-(3'-氯苯基)乙醇，并在碱性条件下环化所得的醇制造(-)-取代苯乙烯环氧化物。(-)-取代苯乙烯环氧化物可以高效地制造。
• PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE
  申请人：KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0493617A1

  公开（公告）日：1992-07-08

  A process for producing (-)-substituted styrene oxide efficiently, which comprises reducing 2-bromo-1-(3'-chlorophenyl)ethanone asymmetrically into (-)-2-bromo-1-(3'-chlorophenyl)ethanol in the presence of a microorganism belonging to any of the 11 genera including Ashbya and Brettanomyces, and cyclizing the isolated and purified product under an alkaline condition into (-)-substituted styrene oxide.

  一种高效生产(-)-取代的氧化苯乙烯的工艺，它包括在属于 Ashbya 和 Brettanomyces 等 11 个属中任何一个属的微生物存在下，将 2-溴-1-(3'-氯苯基)乙酮不对称地还原成(-)-2-溴-1-(3'-氯苯基)乙醇，并在碱性条件下将分离和纯化的产物环化成(-)-取代的氧化苯乙烯。
• Tandem Concurrent Processes: One-Pot Single-Catalyst Biohydrogen Transfer for the Simultaneous Preparation of Enantiopure Secondary Alcohols
  作者：Fabricio R. Bisogno、Iván Lavandera、Wolfgang Kroutil、Vicente Gotor

  DOI：10.1021/jo802350f

  日期：2009.2.20

  A novel one-pot tandem biohydrogen transfer process to concurrently obtain two enantiopure sec-alcohols is presented; thus, using a suitable single enzyme and a catalytic amount of cofactor, several interesting building blocks could be easily achieved in an enantiocomplementary fashion, minimizing dramatically the quantity of reagents usually employed in the "coupled-substrate" approach.
• Reduction processes biocatalyzed by Vigna unguiculata
  作者：Ayla M.C. Bizerra、Gonzalo de Gonzalo、Iván Lavandera、Vicente Gotor-Fernández、Marcos Carlos de Mattos、Maria da Conceicão F. de Oliveira、Telma L.G. Lemos、Vicente Gotor

  DOI：10.1016/j.tetasy.2010.03.005

  日期：2010.3

  Whole cells from the Brazilian beans feijao de corda (Vigna unguiculata) have been employed as biocatalysts in different bioreduction processes. Good to excellent selectivities can be obtained in the reduction of aromatic and aliphatic ketones, as well as beta-ketoesters, depending on the conversions and the chemoselectivity on the substrate structure. This biocatalyst was also able to reduce the nitro moiety of different aromatic nitro compounds, showing as well enoate reductase activity, and chemoselectively catalyzing the double bond reduction of 4-phenyl-3-buten-2-one with moderate conversion. (C) 2010 Elsevier Ltd. All rights reserved.
• Lentinus strigellus: a new versatile stereoselective biocatalyst for the bioreduction of prochiral ketones
  作者：Bartholomeu A. Barros-Filho、Maria da Conceição F. de Oliveira、Telma L.G. Lemos、Marcos C. de Mattos、Gonzalo de Gonzalo、Vicente Gotor-Fernández、Vicente Gotor

  DOI：10.1016/j.tetasy.2009.02.008

  日期：2009.5

  Growing cells of the basiodiomycete Lentinus strigellus in potato-dextrose broth have been used for the first time as a biocatalyst in the stereoselective reduction of aromatic and aliphatic ketones. Most of the aromatic ketones were converted into the corresponding optically active alcohols ill Up to > 99% enantiomeric excess under very mild reaction conditions. Among the aliphatic ketones tested, 2-octanone was enzymatically reduced by this microorganism to enantiopure (S)-2-octanol with almost complete conversion. (c) 2009 Elsevier Ltd. All Fights reserved.