1-氯-3-(4-氯苯氧基)丙烷-2-酮 | 57264-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-氯-3-(4-氯苯氧基)丙烷-2-酮
• 英文名称: 1-chloro-3-(p-chlorophenoxy)-2-propanone
• 英文别名: 1-chloro-3-(4-chlorophenyloxy)propan-2-one；1-chloro-3-(4-chlorophenoxy)acetone；1-Chloro-3-(4-chlorophenoxy)propan-2-one
• CAS: 57264-54-7
• 化学式: C₉H₈Cl₂O₂
• mdl: MFCD11937158
• 分子量: 219.067
• InChiKey: TVICFYIGXQRSRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氯-3-(4-氯苯氧基)丙烷-2-酮 在 Saccharomyces cerevisiae yeast 作用下， 以 乙醇 、 水 为溶剂， 反应 26.0h， 生成 (R)-(-)-2-((4-chlorophenoxy)methyl)thiirane
  参考文献：
  名称：

  Asymmetric reduction of α-thiocyanatoketones by Saccharomyces cerevisiae and Mortierella isabellina—a new route to optically active thiiranes

  摘要：

  A simple method for the preparation of optically active 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-oles from racemic 1-chloro-3-aryloxy- and 1-chloro-3-arylsulphanyl-2-propanols via 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-ones has been developed. The enantiomerically enriched beta-hydroxythiocyanates were obtained by a microbiological reduction of the thiocyanatoketones with Saccharomyces cerevisiae or Mortierella isabellina and subsequently converted into optically active thiiranes on treatment with a lithium hydroxide solution. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.023
• 作为产物：
  描述：

  1-氯-3-(4-氯苯氧基)丙-2-醇 在 chromium(VI) oxide 、 硫酸 、 水 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以86%的产率得到1-氯-3-(4-氯苯氧基)丙烷-2-酮
  参考文献：
  名称：

  Asymmetric reduction of α-thiocyanatoketones by Saccharomyces cerevisiae and Mortierella isabellina—a new route to optically active thiiranes

  摘要：

  A simple method for the preparation of optically active 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-oles from racemic 1-chloro-3-aryloxy- and 1-chloro-3-arylsulphanyl-2-propanols via 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-ones has been developed. The enantiomerically enriched beta-hydroxythiocyanates were obtained by a microbiological reduction of the thiocyanatoketones with Saccharomyces cerevisiae or Mortierella isabellina and subsequently converted into optically active thiiranes on treatment with a lithium hydroxide solution. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2007.04.023

文献信息

• Imidazolium salts
  申请人：Janssen Pharmaceutica N.V.

  公开号：US03991202A1

  公开（公告）日：1976-11-09

  Novel quaternary imidazolium salts substituted on one nitrogen of the imidazolium cation with a ##EQU1## group in which each A is an aryl radical and B is an aliphatic, aryl-substituted aliphatic or aromatic radical, said salts being useful as antimicrobial agents.

  新型的四元咪唑盐，其中咪唑阳离子的一个氮原子上取代有一个##EQU1##基团，其中每个A是芳基基团，B是脂肪基、芳基取代的脂肪基或芳基基团，这些盐可用作抗微生物剂。
• Herbicidally active phenoxy-alkanecarboxylic acid derivatives
  申请人：SUNTORY LIMITED

  公开号：EP0303415B1

  公开（公告）日：1994-11-30
• US3991202A
  申请人：——

  公开号：US3991202A

  公开（公告）日：1976-11-09
• US4017631A
  申请人：——

  公开号：US4017631A

  公开（公告）日：1977-04-12
• Asymmetric reduction of α-thiocyanatoketones by Saccharomyces cerevisiae and Mortierella isabellina—a new route to optically active thiiranes
  作者：Edyta Łukowska、Jan Plenkiewicz

  DOI：10.1016/j.tetasy.2007.04.023

  日期：2007.6

  A simple method for the preparation of optically active 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-oles from racemic 1-chloro-3-aryloxy- and 1-chloro-3-arylsulphanyl-2-propanols via 1-aryloxy- and 1-arylsulphanyl-3-thiocyanatopropan-2-ones has been developed. The enantiomerically enriched beta-hydroxythiocyanates were obtained by a microbiological reduction of the thiocyanatoketones with Saccharomyces cerevisiae or Mortierella isabellina and subsequently converted into optically active thiiranes on treatment with a lithium hydroxide solution. (C) 2007 Elsevier Ltd. All rights reserved.