1-methyl-3-(p-chlorobenzoyl)-(4-hydroxy-4-p-chlorophenyl)piperidine | 21070-54-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-methyl-3-(p-chlorobenzoyl)-(4-hydroxy-4-p-chlorophenyl)piperidine
• 英文别名: MCULE-8538288307-0；(4-chloro-phenyl)-[4-(4-chloro-phenyl)-4-hydroxy-1-methyl-piperidin-3-yl]-methanone；1-Methyl-3-(4'-chlorbenzoyl0-4-hydroxy-4-(4'-chlorphenyl)-piperidin；(4-Chlorophenyl)[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone；(4-chlorophenyl)-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-3-yl]methanone
• CAS: 21070-54-2
• 化学式: C₁₉H₁₉Cl₂NO₂
• mdl: MFCD03409174
• 分子量: 364.271
• InChiKey: UFHWOVCVCKOHGI-UHFFFAOYSA-N

物化性质

• 熔点：
  156-159 °C
• 沸点：
  520.2±50.0 °C(Predicted)
• 密度：
  1.310±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-3-(p-chlorobenzoyl)-(4-hydroxy-4-p-chlorophenyl)piperidine 在 氢溴酸 作用下， 生成 7-chloro-9-(4-chloro-phenyl)-2-methyl-2,3-dihydro-1H-indeno[2,1-c]pyridine; hydrobromide
  参考文献：
  名称：

  Chlorinated derivatives of 1-pyridindene and their preparation

  摘要：

  公开号：

  US02546653A1
• 作为产物：
  描述：

  对氯苯乙酮 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 1-methyl-3-(p-chlorobenzoyl)-(4-hydroxy-4-p-chlorophenyl)piperidine
  参考文献：
  名称：

  Gul, Halise Inci; Calis, Unsal; Vepsalainen, Jouko, Arzneimittel-Forschung/Drug Research, 2002, vol. 52, # 12, p. 863 - 869

  摘要：

  DOI：

文献信息

• Synthèse et étude préliminaire de quelques arylpropanonamines substitués sur le cycle et leurs sels quaternaires
  作者：J Stenlake

  DOI：10.1016/0223-5234(89)90026-3

  日期：1989.12
• STENLAKE, JOHN B.;PATRICK, GRAHAM L.;SNEADER, WALTER E., EUR. J. MED. CHEM., 24,(1989) N, C. 591-597
  作者：STENLAKE, JOHN B.、PATRICK, GRAHAM L.、SNEADER, WALTER E.

  DOI：——

  日期：——
• EP1242080A4
  申请人：——

  公开号：EP1242080A4

  公开（公告）日：2003-01-22
• DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE
  申请人：GEORGETOWN UNIVERSITY

  公开号：EP1242080A1

  公开（公告）日：2002-09-25
• [EN] DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE<br/>[FR] INHIBITEURS DU TRANSPORTEUR DE DOPAMINE ET LEUR UTILISATION
  申请人：UNIV GEORGETOWN

  公开号：WO2001022964A1

  公开（公告）日：2001-04-05

  The present invention provides a novel class of compounds. The compounds are inhibitors of dopamine transporter and therefore are useful in the treatment of disorders related to dopamine transporter activity. One aspect of the present invention provides a class of compounds of formula (I): wherein R1 is an alkyl, aryl, alkyl-aryl, aromatic ring containing one or more hetero atoms; R2 is an alkyl, aryl, aromatic ring containing one or more hetero atoms, ketone, hydroxyl, alcohol, aldehyde, ester, acid, amide group, or (1) or (2), wherein R' is a phenyl ring optionally substituted with one or more halogens or one or more saturated or unsaturated alkyl (C1-5) group, or aromatic ring with one or more hereto atoms optionally substituted with one or more halogens or one or more saturated or unsaturated alkyl (C1-5) group; R3 is F, C1, Br, I, OH, OR', or OC=OR', wherein R' is an alkyl, aryl, aromatic ring containing one or more hetero atoms, or a -O- bond with R2 when R2 is hydroxyl or alcohol; R4 is an alkyl, aryl, alkyl-aryl; aromatic ring containing one or more hetero atoms, hydroxyl, alcohol, aldehyde, ester, acid, amide group.