(3-nitro-phenyl)-carbamic acid isopropyl ester | 2610-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3-nitro-phenyl)-carbamic acid isopropyl ester
• 英文别名: (3-Nitro-phenyl)-carbamidsaeure-isopropylester；Carbamic acid, (3-nitrophenyl)-, 1-methylethyl ester；propan-2-yl N-(3-nitrophenyl)carbamate
• CAS: 2610-62-0
• 化学式: C₁₀H₁₂N₂O₄
• mdl: MFCD00087978
• 分子量: 224.216
• InChiKey: FLLAOLGEPZPDGF-UHFFFAOYSA-N

物化性质

• 熔点：
  91 °C
• 沸点：
  286.5±23.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  (3-nitro-phenyl)-carbamic acid isopropyl ester 生成 Carbamic acid, (3-aminophenyl)-, 1-methylethyl ester
  参考文献：
  名称：

  SCHIRMER, U.;ROHR, W.;WUERZER, B.;FETT, K.

  摘要：

  DOI：
• 作为产物：
  描述：

  3-硝基苯甲酰基叠氮化物 、 异丙醇 在 xylene 作用下， 生成 (3-nitro-phenyl)-carbamic acid isopropyl ester
  参考文献：
  名称：

  Veibel; Lillelund, Dansk Tidsskrift for Farmaci, 1940, vol. 14, p. 241

  摘要：

  DOI：

文献信息

• Effect of successive increase in alcohol chains on reaction with isocyanates and isothiocyanates
  作者：Shahnaz Perveen、Arfa Yasmin、Khalid Mohammed Khan

  DOI：10.1080/14786410802270738

  日期：2010.1.10

  The reaction of isocyanates and isothiocyanates with long-chain alcohols, e.g. n-hexanol, n-heptanol and n-octanol, exclusively gave N-aryl-O-alkyl carbamates, while N-aryl-O-alkyl carbamates were formed along with symmetrical 1,3-disubstituted ureas and thioureas when the same reactions were carried out with small-chain alcohols at room temperature without using any solvent.

  异氰酸酯和异硫氰酸酯与长链醇，例如将反应Ñ己醇，Ñ庚醇和Ñ辛醇，只给Ñ -芳基- ø -烷基氨基甲酸盐，而Ñ -芳基- ö烷基用对称沿形成氨基甲酸酯当在不使用任何溶剂的情况下与小链醇在室温下进行相同的反应时，1,3-二取代的脲和硫脲。
• Hoeke, Recueil des Travaux Chimiques des Pays-Bas, 1935, vol. 54, p. 505,507,513
  作者：Hoeke

  DOI：——

  日期：——
• The Preparation of Oxazolidinetriones. A Novel Cyclic Anhydride Derived from Carbamates and Oxalyl Chloride
  作者：P. J. Stoffel

  DOI：10.1021/jo01032a526

  日期：1964.9
• Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases
  申请人：Kunapuli Priya

  公开号：US20080027095A1

  公开（公告）日：2008-01-31

  The invention encompasses a method for treating a disease or condition mediated by the human MRG-X1 receptor, such as nociception, hyperalgesia, allodynia, pain related to central hypersensitivity conditions, somatic pain, visceral pain, acute pain, chronic pain, post-operative pain, headache, inflammatory pain, neurological pain, musculoskeletal pain, cancer related pain or vascular pain, in a human patient in need thereof comprising administering to the patient a therapeutically effective amount of a 3-substituted-2-(diphenylmethy)-1-azabicyclo[2.2.2]octane or a pharmaceutically acceptable salt thereof. The invention is also directed to the use of these compounds as molecular tools to directly explore the role of the MRG-X1 receptor in pain perception.
• METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS
  申请人：Dong Xinzhong

  公开号：US20120073001A1

  公开（公告）日：2012-03-22

  The invention features therapeutic compositions comprising agents useful for the treatment or prevention of pruritis, and methods useful for identifying such agents.