1-(4-(chloromethyl)phenyl)propan-1-one | 98986-07-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(chloromethyl)phenyl)propan-1-one
• 英文别名: p-propanoylbenzyl chloride；1-[4-(Chloromethyl)phenyl]propan-1-one
• CAS: 98986-07-3
• 化学式: C₁₀H₁₁ClO
• 分子量: 182.65
• InChiKey: KNNUTNIQEDRARH-UHFFFAOYSA-N

物化性质

• 熔点：
  50 °C
• 沸点：
  294.2±23.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

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：
  0.3
• 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：

  1-(4-(chloromethyl)phenyl)propan-1-one 在 sodium tetrahydroborate 、 硫酸 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1-(4-((4-Phenylpiperazin-1-yl)methyl)phenyl)propyl)acetamide
  参考文献：
  名称：

  Novel DMARDs on the basis of a new concept of dual cytokine regulation, TNF-α suppression and IL-10 augmentation

  摘要：

  A series of arylpiperazine derivatives was synthesized to obtain agents showing apparent therapeutic effects in a chronic inflammatory animal model, starting from a lead possessing potent dual cytokine regulatory activity in vivo. We found a pyrimidylpiperazine derivative 17c showing the dual regulatory activity and an excellent therapeutic effect in an adjuvant-induced arthritis model. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00129-3
• 作为产物：
  描述：

  1-(4-(bromomethyl)phenyl)propan-1-one 生成 1-(4-(chloromethyl)phenyl)propan-1-one
  参考文献：
  名称：

  ARAI, KADZUTAKA;TAKAXASI, YASUXIRO;TSUTIYA, SYUDZI

  摘要：

  DOI：

文献信息

• Benzyllithiums bearing aldehyde carbonyl groups. A flash chemistry approach
  作者：Aiichiro Nagaki、Yuta Tsuchihashi、Suguru Haraki、Jun-ichi Yoshida

  DOI：10.1039/c5ob00958h

  日期：——

  Reductive lithiation of benzyl halides bearing aldehyde carbonyl groups followed by reaction with subsequently added electrophiles was successfully accomplished.

  对带有醛羰基的苄基卤化物进行还原性锂化，随后与随后加入的亲电子试剂反应成功完成。

• Piperazine compounds and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US20030018034A1

  公开（公告）日：2003-01-23

  The present invention relates to a piperazine compound of the formula 1 wherein R 1 and R 2 are each hydrogen, halogen, lower alkyl, lower alkoxy, amino, substituted amino, nitro, hydroxy or cyano, R 3 , R 4 and R 5 are each hydrogen, halogen, lower alkyl, lower alkoxy, nitro, amino, substituted amino or hydroxy, R 6 and R 7 are each hydrogen, lower alkyl, lower alkyl substituted by halogen, aralkyl, acyl or lower acyl substituted by halogen, R 8 and R 9 are each hydrogen or lower alkyl, Y is lower alkylene and the like, and ring A is phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl, a pharmaceutically acceptable salt thereof and pharmaceutical agents containing these compounds. The compound of the present invention has superior TNF-&agr; production inhibitory effect and/or IL-10 production promoting effect, and, since it is free of or shows only strikingly reduced expression of an effect on the central nervous system, the compound is useful as a highly safe and superior TNF-&agr; production inhibitor an/or IL-10 production promoter and is useful as an agent for the prophylaxis or treatment of various diseases caused by abnormal TNF-&agr; production, diseases curable with IL-10, such as chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases due to infection, autoimmune diseases, allergic diseases, and TNF-&agr; mediated diseases.

  本发明涉及一种哌嗪化合物，其化学式为1，其中R1和R2分别为氢、卤素、低碳基、低氧基、氨基、取代氨基、硝基、羟基或氰基，R3、R4和R5分别为氢、卤素、低碳基、低氧基、硝基、氨基、取代氨基或羟基，R6和R7分别为氢、低碳基、被卤素取代的低碳基、芳基烷基、酰基或被卤素取代的低酰基，R8和R9分别为氢或低碳基，Y为低碳基亚烷基等，环A为苯基、嘧啶基、噻唑基、吡啶基、吡唑基或咪唑基，以及其药学上可接受的盐和含有这些化合物的药物制剂。本发明的化合物具有优异的TNF-α产生抑制作用和/或IL-10产生促进作用，并且由于其不具有或仅表现出对中枢神经系统的作用明显降低，因此该化合物可用作高度安全和优越的TNF-α产生抑制剂和/或IL-10产生促进剂，并可用作预防或治疗由异常TNF-α产生引起的各种疾病、可用IL-10治愈的疾病，例如慢性炎症性疾病、急性炎症性疾病、由感染引起的炎症性疾病、自身免疫性疾病、过敏性疾病和TNF-α介导的疾病。
• PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP1029851A1

  公开（公告）日：2000-08-23

  Piperazine compounds represented by the following general formula (I) or pharmaceutically acceptable salts thereof and drugs comprising these compounds, wherein R1 and R2 represent each hydrogen, halogeno, lower alkyl, lower alkoxy, optionally substituted amino, nitro, hydroxy or cyano; R3, R4 and R5 represent each hydrogen, halogeno, lower alkyl, lower alkoxy, nitro, optionally substituted amino or hydroxy; R6 and R7 represent each hydrogen, optionally halogenated lower alkyl, aralkyl, acyl or halogenated lower acyl; R8 and R9 represent each hydrogen or lower alkyl; Y represents lower alkylene, etc.; and the ring A represents phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl. Because of having excellent TNF-α production inhibitory effect and/or IL-10 production promoting effect, these compounds are useful as TNF-α production inhibitors and/or IL-10 production promoters with high safety. They are useful as preventives or remedies for, e.g., chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases caused by infection, autoimmune diseases, allergic diseases and other TNF-α-mediated diseases.

  由以下通式(I)代表的哌嗪化合物或其药学上可接受的盐以及包含这些化合物的药物，其中 R1 和 R2 分别代表氢、卤素、低级烷基、低级烷氧基、任选取代的氨基、硝基、羟基或氰基；R3、R4 和 R5 分别代表氢、卤素、低级烷基、低级烷氧基、硝基、任选取代的氨基或羟基； R6 和 R7 分别代表氢、任选卤代低级烷基、芳基、酰基或卤代低级酰基； R8 和 R9 分别代表氢或低级烷基； Y 代表低级亚烷基等。环 A 代表苯基、嘧啶基、噻唑基、吡啶基、吡嗪基或咪唑基。由于这些化合物具有优异的 TNF-α 生成抑制作用和/或 IL-10 生成促进作用，因此可用作 TNF-α 生成抑制剂和/或 IL-10 生成促进剂，安全性高。它们可用于预防或治疗慢性炎症性疾病、急性炎症性疾病、感染引起的炎症性疾病、自身免疫性疾病、过敏性疾病和其他TNF-α介导的疾病。
• ARAI, KADZUTAKA;TAKAXASI, YASUXIRO;TSUTIYA, SYUDZI
  作者：ARAI, KADZUTAKA、TAKAXASI, YASUXIRO、TSUTIYA, SYUDZI

  DOI：——

  日期：——
• GOLDFARB YA. L.; KARMANOVA I. B.; VOLKENSHTEJN YU. B.; BELENKIJ L. I., XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 11, 1474-1476
  作者：GOLDFARB YA. L.、 KARMANOVA I. B.、 VOLKENSHTEJN YU. B.、 BELENKIJ L. I.

  DOI：——

  日期：——