3-methyl-2-o-tolyloxy-benzoic acid

• 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-methyl-2-o-tolyloxy-benzoic acid
• 英文别名: 3-Methyl-2-o-tolyloxy-benzoesaeure；2-o-Kresoxy-3-methyl-benzoesaeure；o-Tolylaether-o-kresotinsaeure；3-Methyl-2-(2-methylphenoxy)benzoic acid
• 化学式: C₁₅H₁₄O₃
• 分子量: 242.274
• InChiKey: GULBTDHPIADWRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-methyl-2-o-tolyloxy-benzoic acid 在 硫酸 作用下， 生成 4,5-dimethylxanthenone
  参考文献：
  名称：

  Nucleoside Analogues as Highly Potent and Selective Inhibitors of Herpes Simplex Virus Thymidine Kinase

  摘要：

  A series of carboxamide derivatives of 5 ' -amino-2 ' ,5 ' -dideoxy-5-ethyluridine has been prepared as inhibitors of HSV-TK (herpes simplex virus thymidine kinase). The most potent compounds were derived from xanthene, thioxanthene and dihydroanthracene carboxylic acids. The lead compounds show subnanomolar IC50 values against HSV TKs. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00256-6
• 作为产物：
  描述：

  碳酸二邻甲苯酯 在 sodium carbonate 作用下， 生成 3-methyl-2-o-tolyloxy-benzoic acid
  参考文献：
  名称：

  Fosse; Robyn, Bulletin de la Societe Chimique de France, 1904, vol. <3> 31, p. 267

  摘要：

  DOI：

文献信息

• ATWELL, GRAHAM J.;REWCASTLE, GORDON W.;BAGULEY, BRUCE C.;DENNY, WILLIAM A+, J. MED. CHEM., 33,(1990) N, C. 1375-1379
  作者：ATWELL, GRAHAM J.、REWCASTLE, GORDON W.、BAGULEY, BRUCE C.、DENNY, WILLIAM A+

  DOI：——

  日期：——
• Nucleoside Analogues as Highly Potent and Selective Inhibitors of Herpes Simplex Virus Thymidine Kinase
  作者：Joseph A Martin、Robert W Lambert、John H Merrett、Kevin E.B Parkes、Gareth J Thomas、Stewart J Baker、David J Bushnell、Julie E Cansfield、Stephen J Dunsdon、Andrew C Freeman、Richard A Hopkins、Ian R Johns、Elizabeth Keech、Heather Simmonite、Andrea Walmsley、Philippe Wong Kai-In、Mark Holland

  DOI：10.1016/s0960-894x(01)00256-6

  日期：2001.7

  A series of carboxamide derivatives of 5 ' -amino-2 ' ,5 ' -dideoxy-5-ethyluridine has been prepared as inhibitors of HSV-TK (herpes simplex virus thymidine kinase). The most potent compounds were derived from xanthene, thioxanthene and dihydroanthracene carboxylic acids. The lead compounds show subnanomolar IC50 values against HSV TKs. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Fosse; Robyn, Bulletin de la Societe Chimique de France, 1904, vol. <3> 31, p. 267
  作者：Fosse、Robyn

  DOI：——

  日期：——