5,6-dibenzyloxy-2,3-dihydro-1H-inden-1-one | 100446-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 5,6-dibenzyloxy-2,3-dihydro-1H-inden-1-one
• 英文别名: 5,6-bis-benzyloxy-1-indanone；1H-Inden-1-one, 2,3-dihydro-5,6-bis(phenylmethoxy)-；5,6-bis(phenylmethoxy)-2,3-dihydroinden-1-one
• CAS: 100446-13-7
• 化学式: C₂₃H₂₀O₃
• 分子量: 344.41
• InChiKey: KIQIKVHMHQMPEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,6-dibenzyloxy-2,3-dihydro-1H-inden-1-one 在 亚硝酸丁酯 、 potassium ethoxide 作用下， 以 四氢呋喃 为溶剂， 以66%的产率得到5,6-dibenzyloxy-2-hydroximino-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Singh, Rajeshwar; Kumar, Ashok; Anand, Nitya, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 1-11, p. 5 - 9

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6-二羟基茚满-1-酮 、 氯化苄 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以36.3%的产率得到5,6-dibenzyloxy-2,3-dihydro-1H-inden-1-one
  参考文献：
  名称：

  Singh, Rajeshwar; Kumar, Ashok; Anand, Nitya, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 1-11, p. 5 - 9

  摘要：

  DOI：

文献信息

• Propargylamino indan derivatives and propargylamino tetralin derivatives as brain-selective MAO inhibitors
  申请人：——

  公开号：US20040010038A1

  公开（公告）日：2004-01-15

  The subject invention provides derivatives of propargylamino indan (PAI) and propargylamino tetralin that selectively inhibit monoamine oxidase (MAO) in the brain, having the structure: 1 wherein R 1 is OC(O)R 9 and R 2 is H, wherein R 9 is branched or unbranched C 1 to C 6 alkyl, aryl, or aralkyl, or R 1 is OC(O)R 4 and R 2 is OC(O)R 4 , wherein R 4 is branched or unbranched C 1 to C 6 alkyl, aryl, aralkyl or NR 5 R 6 , wherein R 5 and R 6 are each independently H, C 1 to C 8 alkyl, C 6 to C 12 aryl, C 6 to C 12 aralkyl or C 6 to C 12 cycloalkyl, each optionally substituted; wherein R 3 is H or C 1 to C 6 alkyl; wherein n is 0 or 1; and wherein m is 1 or 2, or a pharmaceutically acceptable salt thereof. Additionally, the subject invention provides methods of treating neurological disorders using these compounds, uses of these compounds for the manufacture of medicaments for treating neurological disorders and processes for synthesis of these compounds.

  本发明提供了独特的丙炔基氨基茚（PAI）和丙炔基氨基四氢萘的衍生物，能够选择性地抑制大脑中的单胺氧化酶（MAO），其结构如下： 其中R1为OC（O）R9，R2为H； 其中R9为支链或非支链的C1到C6烷基、芳基或芳基烷基，或者R1为OC（O）R4，R2为OC（O）R4； 其中R4为支链或非支链的C1到C6烷基、芳基、芳基烷基或NR5R6，其中R5和R6各自独立地为H、C1到C8烷基、C6到C12芳基、C6到C12芳基烷基或C6到C12环烷基，每种均可选择性地取代； 其中R3为H或C1到C6烷基； 其中n为0或1； 其中m为1或2； 或其药学上可接受的盐。此外，本发明还提供了使用这些化合物治疗神经系统疾病的方法，使用这些化合物制造治疗神经系统疾病的药物的用途以及这些化合物的合成过程。
• PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS
  申请人：Blaugrund Eran

  公开号：US20090131535A1

  公开（公告）日：2009-05-21

  The subject invention provides derivatives of propargylamino indan (PAI) and propargylamino tetralin that selectively inhibit monoamine oxidase (MAO) in the brain, having the structure: wherein R 1 is OC(O)R 9 and R 2 is H, wherein R 9 is branched or unbranched C 1 to C 6 alkyl, aryl, or aralkyl, or R 1 is OC(O)R 4 and R 2 is OC(O)R 4 , wherein R 4 is branched or unbranched C 1 to C 6 alkyl, aryl, aralkyl or NR 5 R 6 , wherein R 5 and R 6 are each independently H, C 1 to C 8 alkyl, C 6 to C 12 aryl, C 6 to C 12 aralkyl or C 6 to C 12 cycloalkyl, each optionally substituted; wherein R 3 is H or C 1 to C 6 alkyl; wherein n is 0 or 1; and wherein m is 1 or 2, or a pharmaceutically acceptable salt thereof. Additionally, the subject invention provides methods of treating neurological disorders using these compounds, uses of these compounds for the manufacture of medicaments for treating neurological disorders and processes for synthesis of these compounds.

  该发明提供了丙炔基氨基茚（PAI）和丙炔基氨基四氢萘的衍生物，其在大脑中选择性地抑制单胺氧化酶（MAO），具有以下结构： 其中R1为OC（O）R9，R2为H，其中R9为支链或非支链C1到C6烷基，芳基或芳基烷基；或R1为OC（O）R4，R2为OC（O）R4，其中R4为支链或非支链C1到C6烷基，芳基，芳基烷基或NR5R6，其中R5和R6各自独立地为H，C1到C8烷基，C6到C12芳基，C6到C12芳基烷基或C6到C12环烷基，每个可选择性地被取代；其中R3为H或C1到C6烷基；其中n为0或1；其中m为1或2；或其药学上可接受的盐。此外，该发明还提供了使用这些化合物治疗神经系统疾病的方法，使用这些化合物制造治疗神经系统疾病的药物的用途以及这些化合物的合成方法。
• SINGH RAJESHWAR, KUMAR ASHOK, ANAND NITYA, INDIAN J. CHEM. B, 1989, 28, N1, 509
  作者：SINGH RAJESHWAR, KUMAR ASHOK, ANAND NITYA

  DOI：——

  日期：——
• EP1490324A4
  申请人：——

  公开号：EP1490324A4

  公开（公告）日：2007-10-10
• [EN] PROPARGYLAMINO INDAN DERIVATIVES AND PROPARGYLAMINO TETRALIN DERIVATIVES AS BRAIN-SELECTIVE MAO INHIBITORS<br/>[FR] DERIVES DE PROPARGYLAMINOINDANE ET DERIVES DE PROPARGYLAMINOTETRALINE UTILISES COMME INHIBITEURS DE LA MAO CEREBRO-SELECTIFS
  申请人：TEVA PHARMA

  公开号：WO2003072055A2

  公开（公告）日：2003-09-04

  The subject invention provides derivatives of propargylamino indan (PAI) and propargylamino tetralin that selectively inhibit monoamine oxidase (MAO) in the brain, having the structure:, wherein R1 is OC (O) R9 and R2 is H, wherein R9 i s branched or unbranched C1 to C6 alkyl, aryl, or aralkyl, or R1 is OC (O) R4 and R2 is OC (O) R4, wherein R4 is branched or unbranched C1 to C6 alkyl, aryl, aralkyl or NR5R6, wherein R5 and R6 are each independently H, C1 to C8 alkyl, C6 to C12 aryl, C6 to C12 aralkyl or C6 to C12 cycloalkyl, each optionally substituted; wherein R3 is H or C1 to C6 alkyl; wherein n is 0 or 1; and wherein m is 1 or 2, or a pharmaceutically acceptable salt thereof. Additionally, the subject invention provides methods of treating neurological disorders using these compounds, uses of these compounds for the manufacture of medicaments for treating neurological disorders and processes for synthesis of these compounds.