3-氯-1-(2-氯苯基)-1-丙酮 | 1027979-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-氯-1-(2-氯苯基)-1-丙酮
• 英文名称: 3-Chlor-2'-propionaphthen
• 英文别名: 3-Chloro-1-(2-chlorophenyl)propan-1-one
• CAS: 1027979-10-7
• 化学式: C₉H₈Cl₂O
• 分子量: 203.068
• InChiKey: SKVQYKSVEXCHSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-氯-1-(2-氯苯基)-1-丙酮 在 三氯化铝 、 sodium chloride 作用下， 反应 2.0h， 以4.13 g的产率得到7-氯-1-茚满酮
  参考文献：
  名称：

  A Convenient Synthesis of 7-Halo-1-indanones and 8-Halo-1-tetralones

  摘要：

  A regioselective oxidation of N-indan-4-yl-acetamide or N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide with potassium permanganate followed by acidic hydrolysis gave 7-aminoindan-1-one or 8-aminotetral-1-one in good yield. The amino ketones were converted to the corresponding 7-haloindanone or the 8-halotetralone. Another method to prepare 7-haloindan-1-ones was completed by a cyclization of 3-chloro-1-(2-halophenyl)propan-1-one under Friedel-Crafts conditions to produce the product in gram quantity.

  DOI：

  10.1021/jo035289s
• 作为产物：
  描述：

  2-氯苯甲酸 在 三氯化铝 、 氯化亚砜 作用下， 以 1,2-二氯乙烷 、 苯 为溶剂， 生成 3-氯-1-(2-氯苯基)-1-丙酮
  参考文献：
  名称：

  A Convenient Synthesis of 7-Halo-1-indanones and 8-Halo-1-tetralones

  摘要：

  A regioselective oxidation of N-indan-4-yl-acetamide or N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide with potassium permanganate followed by acidic hydrolysis gave 7-aminoindan-1-one or 8-aminotetral-1-one in good yield. The amino ketones were converted to the corresponding 7-haloindanone or the 8-halotetralone. Another method to prepare 7-haloindan-1-ones was completed by a cyclization of 3-chloro-1-(2-halophenyl)propan-1-one under Friedel-Crafts conditions to produce the product in gram quantity.

  DOI：

  10.1021/jo035289s

文献信息

• Verfahren zur Herstellung von beta,4-Dichlor-propiophenon
  申请人：BAYER AG

  公开号：EP0111863B1

  公开（公告）日：1985-08-07
• US5811585A
  申请人：——

  公开号：US5811585A

  公开（公告）日：1998-09-22
• A Convenient Synthesis of 7-Halo-1-indanones and 8-Halo-1-tetralones
  作者：Phong Nguyen、Evelyn Corpuz、Todd M. Heidelbaugh、Ken Chow、Michael E. Garst

  DOI：10.1021/jo035289s

  日期：2003.12.1

  A regioselective oxidation of N-indan-4-yl-acetamide or N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide with potassium permanganate followed by acidic hydrolysis gave 7-aminoindan-1-one or 8-aminotetral-1-one in good yield. The amino ketones were converted to the corresponding 7-haloindanone or the 8-halotetralone. Another method to prepare 7-haloindan-1-ones was completed by a cyclization of 3-chloro-1-(2-halophenyl)propan-1-one under Friedel-Crafts conditions to produce the product in gram quantity.