1-tert-butoxycarbonyl-3R-(2-methyl-4-fluorophenyl)-4S-hydroxypiperidine | 869720-12-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-tert-butoxycarbonyl-3R-(2-methyl-4-fluorophenyl)-4S-hydroxypiperidine
• 英文别名: tert-butyl (3R,4S)-3-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxylate
• CAS: 869720-12-7
• 化学式: C₁₇H₂₄FNO₃
• 分子量: 309.381
• InChiKey: REBUCTVNNMFEBL-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-tert-butoxycarbonyl-3R-(2-methyl-4-fluorophenyl)-4S-hydroxypiperidine 、 对溴溴苄 在 potassium tert-butylate 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 8.0h， 生成 4-(4-bromo-benzyloxy)-3-(2-methyl-4-fluoro-phenyl)-piperidine
  参考文献：
  名称：

  NK1 and NK3 antagonists

  摘要：

  这项发明涉及一种具有神经激肽抑制性能的化合物，包括该化合物的药物组合物以及用于神经激肽介导疾病的治疗方法。

  公开号：

  US20050256164A1

文献信息

• PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS
  申请人：Pfizer Products Inc.

  公开号：EP1748984A1

  公开（公告）日：2007-02-07
• [EN] PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS<br/>[FR] DERIVES DE PIPERIDINE EN TANT QU'ANTAGONISTES DE NK1 ET NK3
  申请人：PFIZER PROD INC

  公开号：WO2005110987A1

  公开（公告）日：2005-11-24

  The invention relates to compounds according to formula I exhibiting neurokinin inhibitory properties, a pharmaceutical composition comprising, same and a method of treatment for neurokinin-mediated conditions. Formula (I) or a pharmaceutically acceptable salt or solvate thereof wherein: m,=0 or 1; n =0 or 1; s=0 or 1; L is -O- or -N(R4 )-; R1 and R2 are each independently H, aryl, heteroaryl, -(C1-C6)atkylheterocyloalkyl, -(C1-C6)alkylheterocycloalkyl, -(C1-C6)alkylheteroaryl, -(C1-C6)alkyl-O-aryl, -(C1- C6)alkylaryl, and -CH2 N(R4)(R5), wherein each of said heterocyloalkyl, -(C1-C6)alkylheterocycloalkyl, -(C1-C6)alkylheteroaryl, -(C1-C6)alkyl-0-aryl, aryl, -(C1-C6)alkylaryl, heteroaryl, and -CH2N(R4)(R5), is optionally substituted with 1-3 moieties independently selected from X', Y' or Z'; R3 is H, CF3, OH, or-(C1-C6)alkyl; R4, and R5, are each independently selected from H, -(C1-C6)alkyl, or -(C1-C6)(C=0)R7; R7 is (C1-C6)alkyl, OH, -N(R4)(R), or -OR4; R8 and R9 are each independently (C1-C6)alkyl; X, Y, X', Y' and Z' are each independently selected from H, -(C1-C6)alkyl, -(C1-C6)alkyl-NR 4R5, CF3, OH, -O-(C1-C6)alkyl, -(C1-C6)alkyl-C(=0)R7, aryl, heteroaryl, cycloalkyl, -N02, -(C1-C6)alkylaryl, -0-aryl, halogen, CN, -CH3N(R4)(R5), -C(=O)R7, -C(=O)R7, -R6C(=0)R7 or -R6C(=O)NR4R5; and R6 is a bond, -CH2-, -0-, or -NR4­.