D-myo-纤维醇,1-O-(4-甲氧苯基)甲基-2,4,5,6-四-O-(苯基甲基)-,二(苯基甲基)磷酸酯 | 745048-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: D-myo-纤维醇,1-O-(4-甲氧苯基)甲基-2,4,5,6-四-O-(苯基甲基)-,二(苯基甲基)磷酸酯
• 英文名称: 6-(Formylamino)-7-methyl-1H-benzimidazole-4-carbonitrile
• 英文别名: N-(7-Cyano-4-methyl-1H-benzo[d]imidazol-5-yl)formamide；N-(7-cyano-4-methyl-1H-benzimidazol-5-yl)formamide
• CAS: 745048-52-6
• 化学式: C₁₀H₈N₄O
• 分子量: 200.2
• InChiKey: QWMFHWNWTHHUPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  D-myo-纤维醇,1-O-(4-甲氧苯基)甲基-2,4,5,6-四-O-(苯基甲基)-,二(苯基甲基)磷酸酯 以94的产率得到6-Amino-7-methyl-1H-benzimidazole-4-carbonitrile
  参考文献：
  名称：

  Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form

  摘要：

  6-[(4,5-二氢-1H-咪唑-2-基)氨基]-7-甲基-1H-苯并咪唑-4-羧腈及其无水单乙酸盐，基本上不含2,3,7-三氨基-4,6-二甲基-1,9-苯并二氰基，可用于治疗α-2介导的疾病，如眼压增高。

  公开号：

  US20040167194A1
• 作为产物：
  描述：

  2-氨基-4-甲基-3,5-二硝基苯甲腈 以65的产率得到D-myo-纤维醇,1-O-(4-甲氧苯基)甲基-2,4,5,6-四-O-(苯基甲基)-,二(苯基甲基)磷酸酯
  参考文献：
  名称：

  Methods of making 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form

  摘要：

  6-[(4,5-二氢-1H-咪唑-2-基)氨基]-7-甲基-1H-苯并咪唑-4-羧腈及其无水单乙酸盐，基本上不含2,3,7-三氨基-4,6-二甲基-1,9-苯并二氰基，可用于治疗α-2介导的疾病，如眼压增高。

  公开号：

  US20040167194A1

文献信息

• [EN] PROCESS FOR THE PREPARATION OF N-SUBSTITUTED FORMAMIDES<br/>[FR] PROCEDE DE PREPARATION DE FORMAMIDES N-SUBSTITUTES
  申请人：LONZA AG

  公开号：WO2004074234A1

  公开（公告）日：2004-09-02

  N-Aryl- or N-heteroarylformamides are prepared by hydrogenating a corresponding nitroarene or nitroheteroarene with formic acid and/or ammonium formate as hydrogen donor and formylating agent in the presence of at least one noble metal-based hydrogenation catalyst and a vanadium or molybdenum compound as co-catalyst.

  N-芳基或N-杂环芳基甲酰胺是通过在至少一种基于贵金属的加氢催化剂和一种钒或钼化合物的共催化剂存在下，用甲酸和/或甲酸铵作为氢供体和甲酰化剂，加氢相应的硝基芳烃或硝基杂环芳烃来制备的。
• [EN] METHODS OF MAKING 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM<br/>[FR] PROCEDES DE FABRICATION DE 6-[(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-]-7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE ET FORME PREFEREE D'UN SEL DE CELUI-CI
  申请人：PROCTER & GAMBLE

  公开号：WO2004074279A1

  公开（公告）日：2004-09-02

  6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile substantially free of 2,3,7-triamino-4,6-dimethyl-1,9-phenazinedicarbonitrile, and the anhydrous monoacetate salt thereof, are useful in the treatment of alpha-2 mediated disorders such as ocular hypertension.

  6-[(4,5-二氢-1H-咪唑-2-基)氨基]-7-甲基-1H-苯并咪唑-4-羧腈，基本上不含2,3,7-三氨基-4,6-二甲基-1,9-菲嗪二羧腈，以及其无水单乙酸盐，在治疗α-2介导的疾病，如眼压增高方面具有用处。
• Methods of making 6-[(4,5-dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt form
  申请人：Randall Lynn Jared

  公开号：US20060122248A1

  公开（公告）日：2006-06-08

  6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile substantially free of 2,3,7-triamino-4,6-dimethyl-1,9-phenazinedicarbonitrile, and the anhydrous monoacetate salt thereof, are useful in the treatment of alpha-2 mediated disorders such as ocular hypertension.

  6-[(4,5-二氢-1H-咪唑-2-基)氨基]-7-甲基-1H-苯并咪唑-4-羧腈，基本上不含2,3,7-三氨基-4,6-二甲基-1,9-苯并二氰基的盐酸单乙酰化物，可用于治疗α-2介导的疾病，如眼压增高。
• Process for the preparation of N-substituted formamides
  申请人：Lonza AG

  公开号：US07268255B2

  公开（公告）日：2007-09-11

  N-Aryl or N-heteroarylformamides are prepared by hydrogenating a corresponding nitroarene or nitroheteroarene with formic acid and/or ammonium formate as hydrogen donor and formylating agent in the presence of at least one noble metal-based hydrogenation catalyst and a vanadium or molybdenum compound as co-catalyst.

  N-芳基或N-杂环芳基甲酰胺是通过在至少一个贵金属基氢化催化剂和钒或钼化合物共催化剂的存在下，用甲酸和/或甲酸铵作为氢供体和甲酰化试剂，对应的硝基芳烃或硝基杂环芳烃进行加氢制备的。
• 6-[(4,5-Dihydro-1H-imidazol-2-yl)amino]-7-methyl-1H-benzimidazole-4-carbonitrile and its preferred salt
  申请人：The Board of Regents of the University of Nebraska

  公开号：US07304084B2

  公开（公告）日：2007-12-04

  6-[(4,5-Dihydro-1H-imidazol-2-yl)amino-]-7-methyl-1H-benzimidazole-4-carbonitrile substantially free of 2,3,7-triamino-4,6-dimethyl-1,9-phenazinedicarbonitrile, and the anhydrous monoacetate salt thereof, are useful in the treatment of alpha-2 mediated disorders such as ocular hypertension.

  6-[(4,5-二氢-1H-咪唑-2-基)氨基]-7-甲基-1H-苯并咪唑-4-碳腈及其无水单乙酸盐，在治疗α-2介导的疾病，如眼压增高方面有用，且基本不含2,3,7-三氨基-4,6-二甲基-1,9-苯并二氰基。