1-chlorocyclohepta-1,3-diene | 149491-41-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 1-chlorocyclohepta-1,3-diene
• 英文别名: 1-chloro-cyclohepta-1,3-diene；1-Chlor-cyclohepta-1,3-dien
• CAS: 149491-41-8
• 化学式: C₇H₉Cl
• 分子量: 128.601
• InChiKey: WZNUGVQVDDBILL-UHFFFAOYSA-N

物化性质

• 沸点：
  177.2±9.0 °C(Predicted)
• 密度：
  1.04±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2-氯环庚-2-烯-1-酮 在 盐酸 、 sodium tetrahydroborate 、 cerium(III) chloride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 甲醇 、 正戊烷 、 苯 为溶剂， 反应 25.33h， 生成 1-chlorocyclohepta-1,3-diene
  参考文献：
  名称：

  Banwell, Martin G.; Corbett, Madelaine; Gulbis, Jacqueline, Journal of the Chemical Society. Perkin transactions I, 1993, # 8, p. 945 - 964

  摘要：

  DOI：

文献信息

• Alkenylation employing lithium alkenyls. Part VIII. Studies on alkadienyl derivatives
  作者：E. A. Braude、E. A. Evans

  DOI：10.1039/jr9540000607

  日期：——
• [EN] NOVEL GAMMA SECRETASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE GAMMA SECRETASE
  申请人：SCHERING CORP

  公开号：WO2005097768A2

  公开（公告）日：2005-10-20

  Gamma-secretase inhibitors of the formula: Chemical formula should be inserted here as it appears on the abstract in paper form. are useful in treating various neurodegenerative diseases, wherein, for example: R1 includes unsubstituted or substituted aryl or heteroaryl groups; R2 includes -C(O)-Y, alkylene-C(O)-Y, alkylene-cycloalkylene-C(O)-Y, cycloalkylene-alkylene-C(O)-Y, alkylene cycloalkylene-alkylene-C(O)-Y, cycloalkylene-C(O)-Y, -S(O)-Y, alkylene-S(O)-Y, alkylene-cycloalkylene-S(O)-Y, cycloalkylene-alkylene-S(O)-Y, alkylene cycloalkylene-alkylene-S(O)-Y, cycloalkylene-S(O)-Y, -S(O2)-Y, alkylene-S(O2)-Y, alkylene cycloalkylene S(O2)-Y, cycloalkylene alkylene S(O2)-Y, alkylene cycloalkylene-alkylene-S(O2)-Y, and cycloalkylene-S(O2)-Y, wherein Y is as defined herein, and each of said alkylene or cycloalkylene may be unsubstituted or substituted as provided herein; each R3 is independently includes H, alkyl, O alkyl, OH, N(R9)2, acyl, and aroyl; or the moiety (R3)2, together with the ring carbon atom to which it is shown attached in formula I, defines a carbonyl group, -C(O)-; each R3A and R3B independently includes H, or alkyl; R11 includes aryl, heteroaryl, alkyl, cycloalkyl, arylalkyl, arylcycloalkyl, heteroarylalkyl, heteroarylcycloalkyl, arylheterocycloalkyl, or alkoxyalkyl. One or more of the compounds of formula I, or pharmaceutically acceptable salts, solvates, and/or esters, or compositions comprised thereof, may be used to treat, e.g., Alzheimer's Disease.
• Banwell, Martin G.; Corbett, Madelaine; Gulbis, Jacqueline, Journal of the Chemical Society. Perkin transactions I, 1993, # 8, p. 945 - 964
  作者：Banwell, Martin G.、Corbett, Madelaine、Gulbis, Jacqueline、Mackay, Maureen F.、Reum, Monica E.

  DOI：——

  日期：——