4-cyano-2,6-dimethoxytoluene | 78025-94-2

• 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-cyano-2,6-dimethoxytoluene
• 英文别名: 3.5-Dimethoxy-4-methyl-benzonitril；3,5-Dimethoxy-4-methylbenzonitrile
• CAS: 78025-94-2
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.203
• InChiKey: HFHIBMHYRZVGJA-UHFFFAOYSA-N

物化性质

• 熔点：
  130-131 °C(Solv: methanol (67-56-1))
• 沸点：
  279.5±40.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-cyano-2,6-dimethoxytoluene 在 镍 甲酸 作用下， 以 水 为溶剂， 反应 6.0h， 以45%的产率得到苯(甲)醛,3,5-二甲氧基-4-甲基-
  参考文献：
  名称：

  2,4-Diamino-5-benzylpyrimidines and analogs as antibacterial agents. 5. 3',5'-Dimethoxy-4'-substituted-benzyl analogs of trimethoprim

  摘要：

  Forty trimethoprim analogues in which the para substituent in the benzene ring was varied were prepared for antibacterial evaluation. All were very potent inhibitors of Escherichia coli dihydrofolate reductase. The similarity of their inhibitory activities strongly suggested that the side chains beyond the first two atoms were not in contact with the enzyme. However, among 38 ether derivatives which varied widely in their bulk and lipophilicity, very few approached trimethoprim in their broad-spectrum in vitro antibacterial activity. The 4'-methyl and 4'-ethyl analogues and the allyloxy and gamma-chloropropoxy ethers had activities fairly close to that of trimethoprim. The two ethers were chosen for further evaluation in vivo. Neither compound quite matched trimethoprim in efficacy in mice, and their half-lives, as well as that of the beta-methoxyethoxy analogue, were found to be shorter in dogs.

  DOI：

  10.1021/jm00140a005
• 作为产物：
  描述：

  6-acetoxy-6-methylcyclohexa-2,4-dienone 在 sodium hydroxide 、 三氟化硼乙醚 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成 4-cyano-2,6-dimethoxytoluene
  参考文献：
  名称：

  �ber die Bleitetraacetatoxydation von Methoxyphenolen

  摘要：

  DOI：

  10.1007/bf00908780

文献信息

• 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade
  申请人：Pharmacia Corporation

  公开号：US20040106626A1

  公开（公告）日：2004-06-03

  The present invention relates to compounds, and prodrugs thereof, composition and methods useful for preventing and treating thrombotic conditions in mammals. The compounds of the present invention, and prodrugs thereof, selectively inhibit certain proteases of the coagulation cascade.

  本发明涉及化合物及其前药、组合物和方法，用于预防和治疗哺乳动物的血栓病症。本发明的化合物及其前药，选择性地抑制凝血级联反应中的某些蛋白酶。
• ROTH, B.;AIG, E.;RAUCKMAN, B. S.;STRELITZ, J. Z.;PHILLIPS, A. P.;FERONE, +, J. MED. CHEM., 1981, 24, N 8, 933-941
  作者：ROTH, B.、AIG, E.、RAUCKMAN, B. S.、STRELITZ, J. Z.、PHILLIPS, A. P.、FERONE, +

  DOI：——

  日期：——
• 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE
  申请人：Pharmacia Corporation

  公开号：EP1448534A1

  公开（公告）日：2004-08-25
• [EN] 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE<br/>[FR] COMPOSES HETEROCYCLIQUES INSATURES A 6 CHAINONS UTILES POUR L'INHIBITION SELECTIVE DE REACTIONS EN CASCADE DE LA COAGULATION
  申请人：PHARMACIA CORP

  公开号：WO2003029224A1

  公开（公告）日：2003-04-10

  The present invention relates to compounds, and prodrugs thereof, composition and methods useful for preventing and treating thrombotic conditions in mammals. The compounds of the present invention, and prodrugs thereof, selectively inhibit certain proteases of the coagulation cascade.
• �ber die Bleitetraacetatoxydation von Methoxyphenolen
  作者：F. Wessely、J. Swoboda、V. Guth

  DOI：10.1007/bf00908780

  日期：——