2,3,5,6-tetrafluorophenylisocyanate | 384832-36-4

• 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: 2,3,5,6-tetrafluorophenylisocyanate
• 英文别名: 1,2,4,5-Tetrafluoro-3-isocyanatobenzene
• CAS: 384832-36-4
• 化学式: C₇HF₄NO
• 分子量: 191.085
• InChiKey: FSNNAAVVQUFCPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 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：
  29.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3,5,6-tetrafluorophenylisocyanate 、 4-(4-Aminomethyl-3-methylbenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine 以0.045 g (44%)的产率得到4-(3-Methyl-4-[3-(2,3,5,6-tetrafluorophenyl)ureidomethyl]benzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
  参考文献：
  名称：

  Fused azepine derivatives and their use as antidiuretic agents

  摘要：

  根据通用式（1和2），其中G1是一种环庚二烯衍生物，G2是根据通用式（9-11）的一种基团的化合物是新的。根据本发明的化合物是抗利尿素V2受体激动剂。这些化合物的药物组合物可用作抗利尿剂。

  公开号：

  US20040038962A1
• 作为产物：
  描述：

  2,3,5,6-四氟苯胺 在 硫酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 2,3,5,6-tetrafluorophenylisocyanate
  参考文献：
  名称：

  Organosilicon synthesis of isocyanates: I. Synthesis of isocyanates of the furan, thiophene, and mono-and polyfluorophenyl series

  摘要：

  A convenient synthesis of known and unknown isocyanates of the furan, thiophene, and mono- and polyfluorophenyl series, involving silylation of starting amines with hexamethyldisilazane or chlorotrimethylsilane, followed by phosgenation of the resulting N-silyl-substituted amines. An unusual high-temperature rearrangement of 3-(methoxycarbonyl)-4,5-dimethylthiophene-2-yl isocyanate into its 5-ethyl isomer. ortho-Fluorine substituent in anilines decreases the yield of isocyanates, whereas 2,3,5,6-tetrafluorophenyl isocyanate exists for only a short time as a 5% toluene solution.

  DOI：

  10.1134/s1070363206010208

文献信息

• [EN] FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS<br/>[FR] DERIVES D'AZEPINE FUSIONNES ET LEURS UTILISATIONS COMME ANTI-DIURETIQUES
  申请人：FERRING BV

  公开号：WO2002000626A1

  公开（公告）日：2002-01-03

  Compounds according to general formulae (1 and 2), wherein G1 is an azepine derivative and G2 is a group according to general formulae (9 - 11) are new. Compounds according to the invention are vasopressin V¿2? receptor agonists. Pharmaceutical compositions of the compounds are useful as antidiuretic agents.

  通式（1和2）所示的化合物，其中G1是一种氮杂七环衍生物，G2是根据通式（9-11）的一种基团，是新的。根据本发明的化合物是加压素V2受体激动剂。化合物的制药组合物可用作抗利尿剂。
• FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS
  申请人：Ferring B.V.

  公开号：EP1294698A1

  公开（公告）日：2003-03-26
• US7176195B2
  申请人：——

  公开号：US7176195B2

  公开（公告）日：2007-02-13
• Fused azepine derivatives and their use as antidiuretic agents
  申请人：——

  公开号：US20040038962A1

  公开（公告）日：2004-02-26

  Compounds according to general formulae (1 and 2), wherein G 1 is an azepine derivative and G 2 is a group according to general formulae (9-11) are new. Compounds according to the invention are vasopressin V 2 receptor agonists. Pharmaceutical compositions of the compounds are useful as antidiuretic agents. 1

  根据通用式（1和2），其中G1是一种环庚二烯衍生物，G2是根据通用式（9-11）的一种基团的化合物是新的。根据本发明的化合物是抗利尿素V2受体激动剂。这些化合物的药物组合物可用作抗利尿剂。
• Organosilicon synthesis of isocyanates: I. Synthesis of isocyanates of the furan, thiophene, and mono-and polyfluorophenyl series
  作者：A. V. Lebedev、A. B. Lebedeva、V. D. Sheludyakov、S. N. Ovcharuk、E. A. Kovaleva、O. L. Ustinova

  DOI：10.1134/s1070363206010208

  日期：2006.1

  A convenient synthesis of known and unknown isocyanates of the furan, thiophene, and mono- and polyfluorophenyl series, involving silylation of starting amines with hexamethyldisilazane or chlorotrimethylsilane, followed by phosgenation of the resulting N-silyl-substituted amines. An unusual high-temperature rearrangement of 3-(methoxycarbonyl)-4,5-dimethylthiophene-2-yl isocyanate into its 5-ethyl isomer. ortho-Fluorine substituent in anilines decreases the yield of isocyanates, whereas 2,3,5,6-tetrafluorophenyl isocyanate exists for only a short time as a 5% toluene solution.