苯基氨基甲酸异丙烯酯 | 865094-48-0

• 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: 苯基氨基甲酸异丙烯酯
• 英文名称: isopropenyl phenylcarbamate
• 英文别名: Methylene phenyl urethane；prop-1-en-2-yl N-phenylcarbamate
• CAS: 865094-48-0
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: IOYYPIHDBRQGNL-UHFFFAOYSA-N

物化性质

• 沸点：
  250.1±13.0 °C(Predicted)
• 密度：
  1.130±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  苯基氨基甲酸异丙烯酯 、 苄胺 在 1-甲基吡咯烷 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以99%的产率得到1-苄基-3-苯基脲
  参考文献：
  名称：

  Practical Synthesis of Unsymmetrical Ureas from Isopropenyl Carbamates

  摘要：

  [GRAPHICS]A very convenient method for the synthesis of unsymmetrical ureas is described, based on isopropenyl carbamates. The synthetic efficiency of traditional methods for urea formation, such as use of phosgene or alkyl and aryl carbamates, is limited by the formation of symmetrical urea side products or reaction reversibility. Isopropenyl carbamates react with amines cleanly and irreversibly and give unsymmetrical ureas in high yield and purity. This method is ideal for the rapid synthesis of compound libraries.

  DOI：

  10.1021/jo0507643
• 作为产物：
  描述：

  异丙烯基氯甲酸酯 、 苯胺 在 sodium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 0.75h， 以38%的产率得到苯基氨基甲酸异丙烯酯
  参考文献：
  名称：

  Practical Synthesis of Unsymmetrical Ureas from Isopropenyl Carbamates

  摘要：

  [GRAPHICS]A very convenient method for the synthesis of unsymmetrical ureas is described, based on isopropenyl carbamates. The synthetic efficiency of traditional methods for urea formation, such as use of phosgene or alkyl and aryl carbamates, is limited by the formation of symmetrical urea side products or reaction reversibility. Isopropenyl carbamates react with amines cleanly and irreversibly and give unsymmetrical ureas in high yield and purity. This method is ideal for the rapid synthesis of compound libraries.

  DOI：

  10.1021/jo0507643

文献信息

• SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Eidam Hilary Schenck

  公开号：US20080318990A1

  公开（公告）日：2008-12-25

  The present invention relates to a compound of the following formula: where R 1 -R 6 , R 10 , Y, n, m, p, and q are as defined herein. Compounds and compositions of the present invention are useful for the treatment of diseases associated with the overexpression of CCR2.

  本发明涉及以下式的化合物：其中R1-R6、R10、Y、n、m、p和q如本文所定义。本发明的化合物和组合物对于治疗与CCR2过度表达相关的疾病是有用的。
• SPIROINDENES AND SPIROINDANES AS MODULATORS OF CHEMOKINE RECEPTORS
  申请人：Budzik Brian W.

  公开号：US20110124671A1

  公开（公告）日：2011-05-26

  The present invention relates to a compound of the following formula: or a pharmaceutically acceptable salt thereof; where R 1 -R 5 , Y, m, n, and p are defined herein. Compounds and compositions of the present invention are useful the treatment of atherosclerosis.

  本发明涉及以下公式的化合物：或其药学上可接受的盐；其中R1-R5、Y、m、n和p在此定义。本发明的化合物和组合物对动脉粥样硬化的治疗有用。
• SOLUBLE BRANCHED POLYMERS
  申请人：Grigoras Cristian

  公开号：US20140303313A1

  公开（公告）日：2014-10-09

  Branched polymers are prepared from at least (A) at least one monomer having an electron donor moiety, (B) at least one monomer having an electron acceptor moiety, and (C) at least one multifunctional branching agent comprising a urea moiety and at least two N-vinyl groups. The branched polymers are least 20% (by weight) soluble in a solvent for which the corresponding polymer of equal molecular weight made without said multifunctional branching agent is at least 20% (by weight) soluble. Due in part to the wide range of chemistries and solubility and rheological properties, the branched polymers find application in personal care, pharmaceutical/nutritional, and performance chemicals compositions.

  分支聚合物由至少（A）至少一种具有电子给体基团的单体，（B）至少一种具有电子受体基团的单体和（C）至少一种多功能分支剂组成，该分支剂包含尿素基团和至少两个N-乙烯基团。这些分支聚合物在相应的等分子量聚合物不含多功能分支剂的溶剂中至少有20％（重量）的溶解度，由于其广泛的化学性质、溶解度和流变性质，这些分支聚合物在个人护理、制药/营养和性能化学成分中应用广泛。
• UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM
  申请人：E-Therapeutics plc

  公开号：EP3802503A1

  公开（公告）日：2021-04-14
• MODULATORS OF TRYPTOPHAN CATABOLISM
  申请人：E-Therapeutics PLC

  公开号：US20210238139A1

  公开（公告）日：2021-08-05

  There are described compounds of formula (I): (I) and their use as a medicament in the treatment of diseases associated with the abnormal or elevated catabolism of tryptophan, such as, cancer, immunosuppression, viral infection, depression, a neurodegenerative disorder, trauma, age-related cataracts, organ transplant rejection, or an autoimmune disorder in a patient.