(E)-tert-butyl-4-chloro-2-butenoate | 56905-09-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-tert-butyl-4-chloro-2-butenoate
• 英文别名: t-butyl 4-chlorobut-2-enoate；t-Butyl 4-chloro-2-butenoat；Tert-butyl (e)-4-chlorobut-2-enoate
• CAS: 56905-09-0
• 化学式: C₈H₁₃ClO₂
• 分子量: 176.643
• InChiKey: MANXEQDIBOOFCY-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-tert-butyl-4-chloro-2-butenoate 、 2-methylprop-1-enyllithium 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.67h， 以51%的产率得到tert-butyl trans-2-isobutenylcyclopropanecarboxylate
  参考文献：
  名称：

  Cyclopropane derivatives through charge-directed conjugate addition reactions of unsaturated acylphosphoranes

  摘要：

  DOI：

  10.1021/jo00355a039
• 作为产物：
  描述：

  (叔丁氧基羰基亚甲基)三苯基磷烷 、 氯乙醛 以70%的产率得到
  参考文献：
  名称：

  COOKE, M. P.;JAW, J. YAN, J. ORG. CHEM., 1986, 51, N 5, 758-760

  摘要：

  DOI：

文献信息

• Efficient Ruthenium Carbenoid-Catalyzed Cross-Metathesis of Allyl Halides with Olefins
  作者：Bingcan Liu、Sanjoy K. Das、René Roy

  DOI：10.1021/ol026235s

  日期：2002.8.1

  [GRAPHICS]Cross-metatheses of allyl halides and terminal olefins mediated by catalyst 2 are reported and showed good yield and excellent E/Z selectivity. The application of these compounds as alkylating reagents is also demonstrated.
• [EN] ANTI-INFLAMMATORY AND QUORUM SENSING INHIBITION COMPOUNDS AND METHODS OF MAKING AND USING THEM<br/>[FR] COMPOSÉS ANTI-INFLAMMATOIRES INHIBANT LA DÉTECTION DU QUORUM ET PROCÉDÉS DE FABRICATION ET D'UTILISATION DE CEUX-CI
  申请人：UNIV CALIFORNIA

  公开号：WO2011153502A2

  公开（公告）日：2011-12-08

  The invention provides novel compositions based on a structure designated as "Honaucin A", including Honaucin A variants and analogs, and pharmaceutical compositions, liposomes and nanoparticles comprising them, and methods of making and using them. In one embodiment, these Honaucin A compounds, and variants and analogs thereof are used to ameliorate (including to treat or prevent) inflammation. In one embodiment, these Honaucin A compounds, and variants and analogs thereof are used to ameliorate (including to treat or prevent) inflammation. In one embodiment, these Honaucin A compounds, and variants and analogs thereof are used as bacterial quorumsensing inhibitors. Accordingly, in alternative embodiments the compositions of the invention are used as anti-bacterial agents.
• Cyclopropane derivatives through charge-directed conjugate addition reactions of unsaturated acylphosphoranes
  作者：Manning P. Cooke、John Yan Jaw

  DOI：10.1021/jo00355a039

  日期：1986.3
• COOKE, M. P.;JAW, J. YAN, J. ORG. CHEM., 1986, 51, N 5, 758-760
  作者：COOKE, M. P.、JAW, J. YAN

  DOI：——

  日期：——