o-Isopropoxy-phenylisocyanat | 128255-32-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: o-Isopropoxy-phenylisocyanat
• 英文别名: 1-Isocyanato-2-(propan-2-yloxy)benzene；1-isocyanato-2-propan-2-yloxybenzene
• CAS: 128255-32-3
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: HBPBFXBIJVWRFE-UHFFFAOYSA-N

物化性质

• 沸点：
  251.3±23.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 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：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-异丙氧基苯胺	2-isopropoxy-phenylamine	29026-74-2	C9H13NO	151.208

反应信息

• 作为反应物：
  描述：

  N-羟乙基哌啶 、 o-Isopropoxy-phenylisocyanat 以 甲苯 为溶剂， 反应 3.0h， 生成 (2-Isopropoxy-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride
  参考文献：
  名称：

  Cizmarik; Novosedlikova; Racanska, Pharmazie, 1990, vol. 45, # 1, p. 64 - 64

  摘要：

  DOI：
• 作为产物：
  描述：

  光气 、 2-异丙氧基苯胺 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.17h， 生成 o-Isopropoxy-phenylisocyanat
  参考文献：
  名称：

  5-Hydroxytryptamine (5-HT3) receptor antagonists. 3. Ortho-substituted phenylureas

  摘要：

  A novel series of potent 5-HT3 receptor antagonists, ortho-substituted phenylureas 6a-z, is described in which the 5-membered ring of the previously reported indazoles and indolines has been replaced by an intramolecular hydrogen bond. High potency was found both for carbamate 6a and urea 6b. Granatane 6c was less potent than the equivalent tropane. Phenylurea 11c lacking the ortho substituent was inactive. Whereas further substitution could not be tolerated in the aromatic ring, activity was retained with a range of O-alkyl groups, compounds 6k-t. In addition, good activity was found for ortho ester 6u and sulfonamide 6x. The ortho-substituted phenylureas can therefore be regarded as bioisosteres of the 6,5-heterocycles indole, indazole, and indoline.

  DOI：

  10.1021/jm00169a018

文献信息

• Polyesteramide with improved compression set
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0271914A2

  公开（公告）日：1988-06-22

  Disclosed are novel blends comprising segmented polyesteramides with minor amounts of carbodiimide containing materials. The blends are characterized by excellent physical properties and improved compression set characteristics over the polyesteramides in the absence of the carbodiimide component. This allows the polymers obtained to find utility in the making of seals or gaskets which heretofore the base polyesteramides could not satisfy.

  本发明公开了由分段聚酯酰胺与少量含碳二亚胺的材料组成的新型混合物。 与不含碳二亚胺成分的聚酯酰胺相比，这种混合物具有优异的物理性能和更好的压缩永久变形特性。 这使得所获得的聚合物可用于制造密封件或垫圈，而以前的基础聚酯酰胺无法满足这些要求。
• Design and synthesis of new potent human cytomegalovirus (HCMV) inhibitors based on internally hydrogen-bonded 1,6-naphthyridines
  作者：Laval Chan、Tomislav Stefanac、Jean-François Lavallée、Haolun Jin、Jean Bédard、Suzanne May、Guy Falardeau

  DOI：10.1016/s0960-894x(00)00607-7

  日期：2001.1

  1,6-Naphthyridine-2-carboxylic acid benzylamides are potent anti-HCMV compounds. Replacement of the amide moiety by other groups containing internal hydrogen bonds was undertaken to extend the SAR. Our results indicated that the urea derivatives showed very good activity. (C) 2001 Elsevier Science Ltd. All rights reserved.
• US4174393A
  申请人：——

  公开号：US4174393A

  公开（公告）日：1979-11-13
• US4772649A
  申请人：——

  公开号：US4772649A

  公开（公告）日：1988-09-20