4-Hydroxybenzoyl isothiocyanate | 370558-85-3

• 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: 4-Hydroxybenzoyl isothiocyanate
• 英文别名: 4-hydroxybenzoyl isothiocyanate
• CAS: 370558-85-3
• 化学式: C₈H₅NO₂S
• 分子量: 179.199
• InChiKey: GOUAGFYQMFUHCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(6-methylbenzofuran-3-ylmethyl)-[1,3,4]thiadiazol-2-ylamine 、 4-Hydroxybenzoyl isothiocyanate 以 苯 为溶剂， 以65%的产率得到N-({5-[(6-methyl-1-benzofuran-3-yl)methyl]-1,3,4-thiadiazol-2-yl}carbamothioyl)-4-hydroxybenzamide
  参考文献：
  名称：

  A novel series of 2,5-disubstituted 1,3,4-thiadiazoles as potential anticonvulsant agent

  摘要：

  In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-({5-[(6-methyl-1-benzofuran-3-yl)methyl]-1,3,4-thiadiazol-2-yl}carbamothioyl)-2/3/4-substitutedbenzamide were designed, synthesized and evaluated for their anticonvulsant activity. The findings of the present studies confirmed that the pharmacophore model with four binding sites is crucial for anticonvulsant activity. Structure activity relationships among synthesized compounds were also established. (C) 2010 Harish Rajak. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.04.012
• 作为产物：
  描述：

  对羟基苯甲酸 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 1.67h， 生成 4-Hydroxybenzoyl isothiocyanate
  参考文献：
  名称：

  A novel series of 2,5-disubstituted 1,3,4-thiadiazoles as potential anticonvulsant agent

  摘要：

  In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-({5-[(6-methyl-1-benzofuran-3-yl)methyl]-1,3,4-thiadiazol-2-yl}carbamothioyl)-2/3/4-substitutedbenzamide were designed, synthesized and evaluated for their anticonvulsant activity. The findings of the present studies confirmed that the pharmacophore model with four binding sites is crucial for anticonvulsant activity. Structure activity relationships among synthesized compounds were also established. (C) 2010 Harish Rajak. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.04.012

文献信息

• Aromakomposition zum Verringern oder Unterdrücken von unerwünschtem bitteren und adstringierenden Eindruck
  申请人：Symrise AG

  公开号：EP2008530B1

  公开（公告）日：2011-01-19
• A novel series of 2,5-disubstituted 1,3,4-thiadiazoles as potential anticonvulsant agent
  作者：Harish Rajak、Chinmay K. Behera、Rajesh S. Pawar、Pradeep K. Singour、Murli Dhar Kharya

  DOI：10.1016/j.cclet.2010.04.012

  日期：2010.10

  In pursuit for better antiepileptic drug and the importance of semicarbazones and 2,5-disubstituted 1,3,4-thiadiazoles as anticonvulsant pharmacophore, a series of novel N-(5-[(6-methyl-1-benzofuran-3-yl)methyl]-1,3,4-thiadiazol-2-yl}carbamothioyl)-2/3/4-substitutedbenzamide were designed, synthesized and evaluated for their anticonvulsant activity. The findings of the present studies confirmed that the pharmacophore model with four binding sites is crucial for anticonvulsant activity. Structure activity relationships among synthesized compounds were also established. (C) 2010 Harish Rajak. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.