3,5-二氯-N-(2-氯乙基)苯甲酰胺 | 15258-05-6

• 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: 3,5-二氯-N-(2-氯乙基)苯甲酰胺
• 英文名称: 3,5-dichloro-N-(2-chloroethyl)benzamide
• 英文别名: N-(2-chloroethyl)-3,5-dichlorobenzamide
• CAS: 15258-05-6
• 化学式: C₉H₈Cl₃NO
• 分子量: 252.528
• InChiKey: GLCMKQCFBHFAPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 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：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-二氯-N-(2-氯乙基)苯甲酰胺 在 lithium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 2[²H]-5-(2-chloroethylamino)methyl-1,3-dichlorobenzene
  参考文献：
  名称：

  氘取代3-(甲磺酰基)-L-苯丙氨酸衍生物及 其药物组合物、药物制剂和用途

  摘要：

  本发明提供了氘取代3‑(甲磺酰基)‑L‑苯丙氨酸衍生物及其药物组合物、药物制剂和用途，所述氘取代3‑(甲磺酰基)‑L‑苯丙氨酸衍生物具有式Ⅰ所示结构。本发明化合物及其衍生物具有良好的LFA‑1拮抗活性和优异药效学性能，以及较低的毒性。其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21各自独立地为氢或氘，且至少含有一个氘；其中R为氢。

  公开号：

  CN106995439B
• 作为产物：
  描述：

  3,5-二氯苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3,5-二氯-N-(2-氯乙基)苯甲酰胺
  参考文献：
  名称：

  신규한 카복사마이드 유도체 염 및 그 용도

  摘要：

  This invention relates to a novel carbazomide derivative salt having therapeutic effects for mental disorders, and its use. The compound of chemical formula 1 or a pharmaceutically acceptable salt thereof can treat or prevent mental disorders such as depression, anxiety disorders, panic disorders, obsessive-compulsive disorders, phobias, and attention deficit hyperactivity disorder. It can increase compliance, have minimal side effects, and have a therapeutic effect for mental disorders by effectively inhibiting the reuptake of serotonin, norepinephrine, or dopamine.

  公开号：

  KR101784964B1

文献信息

• Design and synthesis of 4-benzylpiperidine carboxamides as dual serotonin and norepinephrine reuptake inhibitors
  作者：Suresh Paudel、Yongkai Cao、Shuohan Guo、Byeongkwan An、Kyeong-Man Kim、Seung Hoon Cheon

  DOI：10.1016/j.bmc.2015.08.022

  日期：2015.10

  A series of 4-benzylpiperidine carboxamides were designed and synthesized, and tested for their dual (serotonin and norepinephrine) reuptake inhibition. The synthesis of 4-benzylpiperidine carboxamides involved two main steps: amidation and substitution. Derivatives with 3 carbon linker displayed better activity than with 2 carbon linker. 4-Biphenyl- and 2-naphthyl-substituted derivatives 7e and 7j showed greater dual reuptake inhibition than standard drug venlafaxine HCl. (C) 2015 Elsevier Ltd. All rights reserved.
• Oxazolines. 3. Regioselective synthesis of 2-(monosubstituted phenyl) and/or unsymmetrically 2-(disubstituted phenyl) 2-oxazolines by cross-coupling Grignard reagents to (haloaryl)-2-oxazolines
  作者：Lendon N. Pridgen

  DOI：10.1021/jo00143a029

  日期：1982.10
• PRIDGEN, L. N., J. ORG. CHEM., 1982, 47, N 22, 4319-4323
  作者：PRIDGEN, L. N.

  DOI：——

  日期：——
• 신규한 카복사마이드 유도체 염 및 그 용도
  申请人：INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY 전남대학교산학협력단(220040365775) BRN ▼409-82-11942

  公开号：KR101784964B1

  公开（公告）日：2017-10-12

  본 발명은 정신장애 치료 효과를 갖는 신규한 카복사마이드 유도체 염 및 그 용도에 관한 것으로, 상기 화학식 1의 화합물 또는 이의 약학적으로 허용 가능한 염으로써, 우울증, 불안장애, 공황장애, 강박장애, 공포증 및 주의력결핍 과다행동장애 등의 정신장애를 치료 또는 예방할 수 있으며, 관해율을 높일 수 있고, 부작용이 적으며, 세로토닌, 노르에피네프린 또는 도파민의 재흡수를 효과적으로 억제할 수 있는 정신장애 치료 효과를 갖는 신규한 카복사마이드 유도체 염 및 그 용도에 관한 것이다.

  This invention relates to a novel carbazomide derivative salt having therapeutic effects for mental disorders, and its use. The compound of chemical formula 1 or a pharmaceutically acceptable salt thereof can treat or prevent mental disorders such as depression, anxiety disorders, panic disorders, obsessive-compulsive disorders, phobias, and attention deficit hyperactivity disorder. It can increase compliance, have minimal side effects, and have a therapeutic effect for mental disorders by effectively inhibiting the reuptake of serotonin, norepinephrine, or dopamine.
• 氘取代3-(甲磺酰基)-L-苯丙氨酸衍生物及 其药物组合物、药物制剂和用途
  申请人：镇江圣安医药有限公司

  公开号：CN106995439B

  公开（公告）日：2019-09-20

  本发明提供了氘取代3‑(甲磺酰基)‑L‑苯丙氨酸衍生物及其药物组合物、药物制剂和用途，所述氘取代3‑(甲磺酰基)‑L‑苯丙氨酸衍生物具有式Ⅰ所示结构。本发明化合物及其衍生物具有良好的LFA‑1拮抗活性和优异药效学性能，以及较低的毒性。其中，R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21各自独立地为氢或氘，且至少含有一个氘；其中R为氢。