N-(2-甲基苯基)-4,5-二氢-1H-咪唑-2-胺 | 36318-56-6

• 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: N-(2-甲基苯基)-4,5-二氢-1H-咪唑-2-胺
• 英文名称: (4,5-dihydro-1H-imidazol-2-yl)-o-tolyl-amine
• 英文别名: Imidazolidon-(2)-<2-methyl-phenylimid>；Imidazolidine, 2-(2-methylphenylimino)-；N-(2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
• CAS: 36318-56-6
• 化学式: C₁₀H₁₃N₃
• 分子量: 175.233
• InChiKey: WLQWOUULTDRZTQ-UHFFFAOYSA-N

物化性质

• 熔点：
  188-191 °C(Solv: tetrahydrofuran (109-99-9))
• 沸点：
  280.1±33.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  36.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(2-甲基苯基)-4,5-二氢-1H-咪唑-2-胺 以 1,4-二氧六环 为溶剂， 反应 18.0h， 生成 N-[(5S,6R)-5-(4-chlorophenyl)-8-(2-methylphenyl)-7-oxo-2,3,5,6-tetrahydroimidazo[1,2-a]pyrimidin-6-yl]benzamide
  参考文献：
  名称：

  Yadav; Pal, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 11, p. 1034 - 1037

  摘要：

  DOI：
• 作为产物：
  描述：

  N-邻甲苯基硫脲 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 N-(2-甲基苯基)-4,5-二氢-1H-咪唑-2-胺
  参考文献：
  名称：

  Yadav; Pal, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 11, p. 1034 - 1037

  摘要：

  DOI：

文献信息

• Microwave-assisted from synthesis of 2-arylamino-2-imidazolines on a solid support
  作者：Murat Genc、S�leyman Servi

  DOI：10.1002/hc.20081

  日期：——

  An efficient synthesis of 2-arylamino-2-imidazolines from dimethyl N-aryldithioimidocarbonates and ethylenediamine on solid support under microwave irradiation has been developed. The reaction time has been reduced from hours to minutes with improved yields as compared to conventional heating. Their piperidin-4-ylmethyl and morpholin-4-ylmethyl derivatives were synthesized by treatment with formaldehyde

  已经开发出一种在微波辐射下从 N-芳基二硫代亚氨基碳酸酯和乙二胺在固体载体上有效合成 2-芳基氨基-2-咪唑啉的方法。与传统加热相比，反应时间从几小时缩短到几分钟，产率提高。通过用甲醛和哌啶或吗啉处理合成了它们的哌啶-4-基甲基和吗啉-4-基甲基衍生物。© 2005 Wiley Periodicals, Inc. 杂原子化学 16:142–222, 2005; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20081
• One‐Pot Synthesis of Iminoimidazolines under Microwave Irradiation in Solvent‐Free Conditions
  作者：Süleyman Servi、Murat Genc

  DOI：10.1080/00397910701545320

  日期：2007.9.1

  Abstract Substituted iminoimidazolines were synthesized from a one‐pot reaction of aromatic or hetero‐aromatic amines with imidazolidine‐2‐thione under solvent‐free conditions using microwave irradiation with good to excellent yields.

  摘要 取代的亚氨基咪唑啉是由芳香族或杂芳香族胺与咪唑烷-2-硫酮在无溶剂条件下使用微波辐射一锅反应合成的，收率良好。
• Inhibitors of factor Xa
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20040116399A1

  公开（公告）日：2004-06-17

  Novel compounds, their salts and compositions related thereto having activity against mammalian factor Xa are disclosed. The compounds are useful in vitro or in vivo for preventing or treating coagulation disorders.

  本发明揭示了一种具有对哺乳动物因子Xa活性的新化合物、其盐和相关组合物。这些化合物在体外或体内用于预防或治疗凝血障碍。
• Method for using pharmaceutical compositions containing
  申请人：Allergan

  公开号：US05708015A1

  公开（公告）日：1998-01-13

  A pharmaceutical composition, useful for treating animals of the mammalian species, including humans, to treat diseases and conditions which normally respond to treatment with alpha.sub.2 adrenergic agents, contains as its active alpha.sub.2 adrenergic agent ingredient one or more compounds of the formula ##STR1## where X is O, S or NH; n is an integer with the values of 0, 1 or 2; when n is 0 then R.sub.1 is lower alkyl having 1 to 6 carbon atoms and R.sub.2 is H or lower alkyl having 1 to 6 carbon atoms; when n is 1 or 2, then R.sub.1 and R.sub.2 both are methylene (CH.sub.2), or methylene substituted with an R.sub.5 group where R.sub.5 is lower alkyl of 1 to 6 carbons; R.sub.3 and R.sub.4 independently are H or lower alkyl having 1 to 6 carbons; R.sub.6 is H or lower alkyl of 1 to 6 carbons.

  一种药物组合物，用于治疗哺乳动物物种，包括人类，以治疗通常对α.sub.2肾上腺素能受体药物治疗有反应的疾病和症状，其活性成分为一个或多个化合物，其化学式为 ##STR1## 其中X为O，S或NH; n为整数，取值为0、1或2; 当n为0时，R.sub.1为1至6个碳原子的低烷基，R.sub.2为H或1至6个碳原子的低烷基; 当n为1或2时，R.sub.1和R.sub.2都是亚甲基（CH.sub.2），或者是被R.sub.5基取代的亚甲基，其中R.sub.5是1至6个碳原子的低烷基; R.sub.3和R.sub.4独立地是H或1至6个碳原子的低烷基; R.sub.6为H或1至6个碳原子的低烷基。
• Method for using 2-(2-alkylphenylamino)-oxazolines as adrenergic agents
  申请人：Allergan

  公开号：US05580892A1

  公开（公告）日：1996-12-03

  A pharmaceutical composition, useful for treating animals of the mammalian species, including humans, to treat diseases and conditions which normally respond to treatment with alpha.sub.2 adrenergic agents, contains as its active alpha.sub.2 adrenergic agent ingredient one or more compounds of the formula ##STR1## where X is 0, S or NH; n is an integer with the values of 0, 1 or 2; when n is 0 then R.sub.1 is lower alkyl having 1 to 6 carbon atoms and R.sub.2 is H or lower alkyl having 1 to 6 carbon atoms; when n is 1 or 2, then R.sub.1 and R.sub.2 both are methylene (CH.sub.2), or methylene substituted with an R.sub.5 group where R.sub.5 is lower alkyl of 1 to 6 carbons; R.sub.3 and R.sub.4 independently are H or lower alkyl having 1 to 6 carbons; R.sub.6 is H or lower alkyl of 1 to 6 carbons.

  一种药物组合物，用于治疗哺乳动物物种，包括人类，治疗通常对α.sub.2肾上腺素能受体药物治疗有反应的疾病和病况，其有效成分为一个或多个式子##STR1##的化合物，其中X为0、S或NH；n是一个整数，取值为0、1或2；当n为0时，R.sub.1为1到6个碳原子的低碳基，R.sub.2为H或1到6个碳原子的低碳基；当n为1或2时，R.sub.1和R.sub.2都是亚甲基（CH.sub.2），或亚甲基被R.sub.5基取代，其中R.sub.5是1到6个碳原子的低碳基；R.sub.3和R.sub.4独立地为H或1到6个碳原子的低碳基；R.sub.6为H或1到6个碳原子的低碳基。