4-甲基-3,5-二硝基-苯甲酰胺 | 4551-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基-3,5-二硝基-苯甲酰胺
• 英文名称: 4-methyl-3,5-dinitrobenzamide
• 英文别名: 4-methyl-3,5-dinitro-benzoic acid amide；4-Methyl-3,5-dinitro-benzoesaeure-amid；3,5-Dinitro-4-methyl-benzamid；3,5-Dinitro-5-methyl-benzamid；3,5-Dinitro-4-methylbenzamid
• CAS: 4551-76-2
• 化学式: C₈H₇N₃O₅
• mdl: MFCD00452608
• 分子量: 225.161
• InChiKey: TXZXZIKHDOCRFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-甲基-3,5-二硝基-苯甲酰胺 生成 2-Amino-4-methyl-3,5-dinitro-benzamide
  参考文献：
  名称：

  5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability

  摘要：

  具有通用结构的苯并咪唑化合物：被用于治疗α-2介导的疾病，包括鼻塞、青光眼、哮喘、偏头痛和腹泻。

  公开号：

  US06486190B1
• 作为产物：
  描述：

  3,5-二硝基-4-甲基苯甲酸 生成 4-甲基-3,5-二硝基-苯甲酰胺
  参考文献：
  名称：

  5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability

  摘要：

  具有通用结构的苯并咪唑化合物：被用于治疗α-2介导的疾病，包括鼻塞、青光眼、哮喘、偏头痛和腹泻。

  公开号：

  US06486190B1

文献信息

• 5-(2-imidazolinylamino)-benzimidazole derivatives, their preparation and their use as .alpha.-adrenoceptor agonists with improved metabolic stability
  申请人：The Procter & Gamble Company

  公开号：US06486190B1

  公开（公告）日：2002-11-26

  Benzimidazole compounds having the generic structure: are used to treat alpha-2 mediated disorders, including nasal congestion, glaucoma, asthma, migraine, and diarrhea.

  具有通用结构的苯并咪唑化合物：被用于治疗α-2介导的疾病，包括鼻塞、青光眼、哮喘、偏头痛和腹泻。
• [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。
• 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。
• 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：The Board of Regents of the University of Nebraska

  公开号：EP1953146A1

  公开（公告）日：2008-08-06

  A method of making a compound of formula (II): comprising: a) providing a compound of formula (I): b) cyclizing the formula (I) compound in a single pot by using a non ferrous metal hydrogenation catalyst, in the presence of hydrogen or a hydrogen donor, and optionally a cyclization agent, yielding the compound of formula (II).

  一种制造式(II)化合物的方法： 包括 a) 提供式（I）化合物： b) 在氢或氢供体以及可选的环化剂存在下，使用非铁金属氢化催化剂，在一锅中环化式（I）化合物，得到式（II）化合物。