3-(氯甲基)哌啶盐酸盐 | 3947-52-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-(氯甲基)哌啶盐酸盐
• 英文名称: 3-chloromethylpiperidine hydrochloride
• 英文别名: 3-(Chloromethyl)piperidine hydrochloride；3-(chloromethyl)piperidine;hydrochloride
• CAS: 3947-52-2
• 化学式: C₆H₁₂ClN*ClH
• 分子量: 170.082
• InChiKey: IOFKRVJEAOUXPG-UHFFFAOYSA-N

物化性质

• 熔点：
  153-154 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-(氯甲基)哌啶盐酸盐 在 sodium sulfite 作用下， 以 水 为溶剂， 反应 1.0h， 以88%的产率得到3-piperidinylmethanesulfonic acid
  参考文献：
  名称：

  Methods and compositions for treating amyloid-related diseases

  摘要：

  描述了用于治疗或预防与淀粉样蛋白相关疾病的方法、化合物、药物组合物和试剂盒。

  公开号：

  US20060223855A1
• 作为产物：
  描述：

  3-哌啶甲醇 在 盐酸 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以96%的产率得到3-(氯甲基)哌啶盐酸盐
  参考文献：
  名称：

  Methods and compositions for treating amyloid-related diseases

  摘要：

  描述了用于治疗或预防与淀粉样蛋白相关疾病的方法、化合物、药物组合物和试剂盒。

  公开号：

  US20060223855A1

文献信息

• Identification and initial structure-activity relationships of a novel non-peptide quinolone GnRH receptor antagonist
  作者：Robert J. DeVita、Darius D. Hollings、Mark T. Goulet、Matthew J. Wyvratt、Michael H. Fisher、Jane-L. Lo、Yi Tien Yang、Kang Cheng、Roy G. Smith

  DOI：10.1016/s0960-894x(99)00446-1

  日期：1999.9

  Screening of the Merck sample collection for non-peptide compounds with binding affinity for the rat GnRH receptor led to the identification of the substituted quinolone (1) as a lead compound in the search for a non-peptide GnRH receptor antagonist. Substantial improvements in potency (similar to 300 fold) were achieved by addition of an alkyl amine at the 4-position, a 3,5-dimethylphenyl group at the 3-position and 6-nitro-7-chloro-substitution of the 1H-quinolone core. (C) 1999 Elsevier Science Ltd. All rights reserved.
• 3-(Methyleneaminoxy)methylpiperidine derivatives as uptake inhibitors of biogenic amines in the brain synaptosomal fraction
  作者：A Balsamo、A Lapucci、A Lucacchini、M Macchia、C Martini、C Nardini、S Nencetti

  DOI：10.1016/0223-5234(94)90197-x

  日期：1994.1

  A series of 3-(methyleneaminoxy)methylpiperidines (5a-h) and their corresponding N-methyl derivatives (6a-h) with a variety of substituents on the imino carbon were synthesized and tested for their potential antidepressant properties; their capacity to inhibit the re-uptake of biogenic amines (NA, 5-HT and DA) in rabbit brain synaptosomal fractions was also evaluated. The biological results obtained for the piperidine derivatives 5a-h and 6a-h and viloxazine 1, the reference drug, on the 3 re-uptake systems revealed that compounds 5 and 6 are generally able to inhibit biogenic amine uptake. The IC50 values for 5 and 6 were often lower than that of viloxazine 1, in particular for the serotonin- and/or dopamine-uptake systems. A higher activity was found for compounds substituted with at least one phenyl ring on the imino carbon with respect to completely aliphatic systems, and for N-unsubstituted compounds with respect to N-methyl-substituted compounds.