4,5,6,7-tetramethyl-3-oxo-indan-1-carboxylic acid | 17977-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4,5,6,7-tetramethyl-3-oxo-indan-1-carboxylic acid
• 英文别名: 4,5,6,7-Tetramethyl-3-oxo-indan-1-carbonsaeure；3-Carboxy-4.5.6.7-tetramethyl-indanon-(1)；4,5,6,7-Tetramethyl-3-oxo-1-indanecarboxylic acid；4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylic acid
• CAS: 17977-21-8
• 化学式: C₁₄H₁₆O₃
• 分子量: 232.279
• InChiKey: XJQGZBYITZDJTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  457.0±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5,6,7-tetramethyl-3-oxo-indan-1-carboxylic acid 生成 4,5,6,7-Tetramethyl-indanon-(1)
  参考文献：
  名称：

  Marechal,E. et al., Bulletin de la Societe Chimique de France, 1968, p. 2049 - 2053

  摘要：

  DOI：
• 作为产物：
  描述：

  四甲基萘 在 三氯化铝 作用下， 生成 4,5,6,7-tetramethyl-3-oxo-indan-1-carboxylic acid
  参考文献：
  名称：

  Baddeley et al., Journal of the Chemical Society, 1952, p. 3289,3291

  摘要：

  DOI：

文献信息

• NK1 and NK3 antagonists
  申请人：O'Neill T. Brian

  公开号：US20050256164A1

  公开（公告）日：2005-11-17

  The invention is to a compound exhibiting neurokinin inhibitory properties, a pharmaceutical composition comprising same and a method of treatment for neurokinin-mediated conditions.

  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。
• 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.
• Baddeley et al., Journal of the Chemical Society, 1952, p. 3289,3291
  作者：Baddeley et al.

  DOI：——

  日期：——
• Marechal,E. et al., Bulletin de la Societe Chimique de France, 1968, p. 2049 - 2053
  作者：Marechal,E. et al.

  DOI：——

  日期：——