(2R)-1-chloro-3-[(4-methoxy-2-methyl)phenyl]amino-2-propanol | 224449-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2R)-1-chloro-3-[(4-methoxy-2-methyl)phenyl]amino-2-propanol
• 英文别名: (2R)-1-chloro-3-(4-methoxy-2-methylanilino)propan-2-ol
• CAS: 224449-85-8
• 化学式: C₁₁H₁₆ClNO₂
• 分子量: 229.707
• InChiKey: FSMFSUOSCFDRDA-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same
  申请人：Annoura Hirokazu

  公开号：US20050101610A1

  公开（公告）日：2005-05-12

  A compound having the formula (I) or its salt, hydrate, hydrate salt or solvate: wherein R 1 to R 4 independently represent H, halogen, OH, alkoxy, optionally substituted alkyl, aryl, or aralkyl group, R 5 represents H, optionally substituted alkyl, aryl, or aralkyl group, E 1 represents O, S, or —NR 6 , where R 6 represents H, an optionally substituted alkyl, aryl, or aralkyl group, E 2 represents O, S, or —NR 7 , where R 7 represents H, an optionally substituted alkyl, aryl, or aralkyl group, A represents CH, C(OH), or N, X represents H, halogen, alkoxy, or an optionally substituted alkyl group, and Q represents an optionally substituted phenyl group, phenoxy, phenylmethyl, or cycloalkyloxy group, where when E 1 represents O or S, E 2 does not represent O or S, which has an action of suppressing the cytotoxic Ca 2+ overload and lipid peroxidation and effective for pharmaceutical preparation for the alleviation and treatment of symptoms due to ischemic diseases, etc.

  化合物具有以下公式(I)或其盐，水合物，水合盐或溶剂化物： 其中，R1至R4独立地表示H，卤素，OH，烷氧基，可选择取代的烷基，芳基或芳基烷基，R5表示H，可选择取代的烷基，芳基或芳基烷基，E1表示O，S或-NR6，其中R6表示H，可选择取代的烷基，芳基或芳基烷基，E2表示O，S或-NR7，其中R7表示H，可选择取代的烷基，芳基或芳基烷基，A表示CH，C（OH）或N，X表示H，卤素，烷氧基或可选择取代的烷基，Q表示可选择取代的苯基，苯氧基，苯甲基或环烷氧基，其中当E1表示O或S时，E2不表示O或S，该化合物具有抑制细胞毒性Ca2+过载和脂质过氧化作用，并且对于缓解和治疗缺血性疾病症状等方面的制药制剂具有有效作用。
• Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same
  申请人：——

  公开号：US20030236269A1

  公开（公告）日：2003-12-25

  A compound having the formula (I) or its salt, hydrate, hydrate salt or solvate: 1 wherein R 1 to R 4 independently represent H, halogen, OH, alkoxy, optionally substituted alkyl, aryl, or aralkyl group, R 5 represents H, optionally substituted alkyl, aryl, or aralkyl group, E 1 represents O, S, or —NR 6 , where R 6 represents H, an optionally substituted alkyl, aryl, or aralkyl group, E 2 represents O, S, or —NR 7 , where R 7 represents H, an optionally substituted alkyl, aryl, or aralkyl group, A represents CH, C(OH), or N, X represents H, halogen, alkoxy, or an optionally substituted alkyl group, and Q represents an optionally substituted phenyl group, phenoxy, phenylmethyl, or cycloalkyloxy group, where when E 1 represents O or S, E 2 does not represent O or S, which has an action of suppressing the cytotoxic Ca 2+ overload and lipid peroxidation and effective for pharmaceutical preparation for the alleviation and treatment of symptoms due to ischemic diseases, etc.

  化合物具有公式(I)或其盐、水合物、水合盐或溶剂化物：其中R1至R4独立地表示H、卤素、OH、烷氧基、可选地取代的烷基、芳基或芳基烷基，R5表示H、可选地取代的烷基、芳基或芳基烷基，E1表示O、S或-NR6，其中R6表示H、可选地取代的烷基、芳基或芳基烷基，E2表示O、S或-NR7，其中R7表示H、可选地取代的烷基、芳基或芳基烷基，A表示CH、C（OH）或N，X表示H、卤素、烷氧基或可选地取代的烷基基团，Q表示可选地取代的苯基、苯氧基、苯甲基或环烷氧基基团，当E1表示O或S时，E2不表示O或S，该化合物具有抑制细胞毒性Ca2+过载和脂质过氧化作用，对于缓解和治疗缺血性疾病症状等方面的制药制剂具有有效作用。
• Process for making N-((4-phenyl) methylphenyl) piperazines
  申请人：SUNTORY LIMITED

  公开号：EP1138678A2

  公开（公告）日：2001-10-04

  1. A process for producing a compound having the formula (XII'): wherein Q' represents an optionally substituted phenyl group and X represents a hydrogen atom, a halogen atom, an alkoxy group, or an optionally substituted alkyl group, that process comprises reacting a benzophenon derivative having the formula (XIII): wherein Q' and X are the same as defined above, and L represents a group which can be easily exchanged with an amino group, with a piperazine derivative having the formula (XIV): wherein W represents a hydrogen atom, a benzyl group, a p-methoxybenzyl group, a benzyloxycarbonyl group, a p-methoxybenzyloxycarbonyl group, a p-nitrobenzyloxycarbonyl group, a tert-butoxycarbonyl group, an ethoxycarbonyl group or an acetyl group to give a compound having the formula (XV): wherein Q', W and X are the same as defined above, and the subsequent reduction and deprotection of the compound having the formula (XV).

  1.一种生产具有式 (XII') 的化合物的工艺： 其中 Q'代表任选取代的苯基，X 代表氢原子、卤素原子、烷氧基或任选取代的烷基，该工艺包括使具有式 (XIII)： 其中 Q' 和 X 与上式定义相同，L 代表易于与氨基交换的基团，该工艺包括将具有式（XIV）的哌嗪衍生物与具有式（XIII）的苯甲酮衍生物反应： 其中 W 代表氢原子、苄基、对甲氧基苄基、苄氧羰基、对甲氧基苄氧羰基、对硝基苄氧羰基、叔丁氧羰基、乙氧羰基或乙酰基，得到式（XV）的化合物： 其中 Q'、W 和 X 与上文所定义的相同，随后对具有式（XV）的化合物进行还原和脱保护。
• ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：EP0958280B1

  公开（公告）日：2005-05-04
• US6407099B1
  申请人：——

  公开号：US6407099B1

  公开（公告）日：2002-06-18