propyl (4-hydroxyphenyl)carbamate | 54840-13-0

• 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: propyl (4-hydroxyphenyl)carbamate
• 英文别名: p-Hydroxyphenylcarbanilsaeure-propylester；(4-hydroxy-phenyl)-carbamic acid propyl ester；(4-Hydroxy-phenyl)-carbamidsaeure-propylester；propyl N-(4-hydroxyphenyl)carbamate
• CAS: 54840-13-0
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: PAONDXOOKFRRRL-UHFFFAOYSA-N

物化性质

• 熔点：
  104 °C
• 沸点：
  285.0±23.0 °C(Predicted)
• 密度：
  1.217±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  propyl (4-hydroxyphenyl)carbamate 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 24.0h， 生成 propyl N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
  参考文献：
  名称：

  Synthesis and structure-activity relationships of new β-adrenoreceptor antagonists. Evidence for the electrostatic requirements for β-adrenoreceptor antagonists

  摘要：

  A series of mono- and disubstituted phenoxypropanolamines, structurally related to practolol and acebutolol, has been synthesized and tested for beta-adrenoreceptor blocking activity. Structure-activity relationships are discussed. The reasons for the lack of activity of compounds 3n and 4n have also been examined. The results suggest that the negative electrostatic potential above the phenyl ring of phenoxypropanolamines is essential for binding activity and point to the presence of an electropositive residue in the beta-adrenoreceptor binding site.

  DOI：

  10.1016/0223-5234(91)90127-9
• 作为产物：
  描述：

  对氨基苯酚 、 氯甲酸丙酯 生成 propyl (4-hydroxyphenyl)carbamate
  参考文献：
  名称：

  烯烃和氨基酚电合成 5-氨基香豆素衍生物

  摘要：

  描述了从易氧化的氨基酚和容易获得的烯烃电化学合成 5-氨基香豆素衍生物。该反应在温和且环境友好的条件下高效、高收率地生产5-氨基香豆素，无需催化剂、添加剂、氧化剂或牺牲试剂。氢气作为反应的唯一副产物，使得该方法清洁、原子效率高且步骤经济。

  DOI：

  10.1021/acs.orglett.3c03026

文献信息

• CSOLLEI, J.;BOROVANSKY, A.;BENES, L.;BEDEROVA, E.;SVEC, P., CS. FARM., 1982, 31, N 6, 229-235
  作者：CSOLLEI, J.、BOROVANSKY, A.、BENES, L.、BEDEROVA, E.、SVEC, P.

  DOI：——

  日期：——
• Synthesis and structure-activity relationships of new β-adrenoreceptor antagonists. Evidence for the electrostatic requirements for β-adrenoreceptor antagonists
  作者：V Kettmann、J Csöllei、E Račanská、P Švec

  DOI：10.1016/0223-5234(91)90127-9

  日期：1991.12

  A series of mono- and disubstituted phenoxypropanolamines, structurally related to practolol and acebutolol, has been synthesized and tested for beta-adrenoreceptor blocking activity. Structure-activity relationships are discussed. The reasons for the lack of activity of compounds 3n and 4n have also been examined. The results suggest that the negative electrostatic potential above the phenyl ring of phenoxypropanolamines is essential for binding activity and point to the presence of an electropositive residue in the beta-adrenoreceptor binding site.
• Electrosynthesis of 5-Aminocoumaran Derivatives from Olefins and Aminophenols
  作者：Yu-Hao Yang、Yu-Fang Tan、Ya-Nan Zhao、Yan-Hong He、Zhi Guan

  DOI：10.1021/acs.orglett.3c03026

  日期：2023.11.24

  The electrochemical synthesis of 5-aminocoumaran derivatives from easily oxidizable aminophenols and readily available olefins is described. The reaction efficiently produces 5-aminocoumarans in high yield under mild and environmentally friendly conditions without the necessity of catalysts, additives, oxidizing agents, or sacrificial reagents. Hydrogen as the sole byproduct of the reaction makes the

  描述了从易氧化的氨基酚和容易获得的烯烃电化学合成 5-氨基香豆素衍生物。该反应在温和且环境友好的条件下高效、高收率地生产5-氨基香豆素，无需催化剂、添加剂、氧化剂或牺牲试剂。氢气作为反应的唯一副产物，使得该方法清洁、原子效率高且步骤经济。