6-methyl-4-(2-methylpropyl)hept-1-yne | 1142922-79-9

• 分子结构分类: 有机化合物 - 乙炔化物
• 英文名称: 6-methyl-4-(2-methylpropyl)hept-1-yne
• CAS: 1142922-79-9
• 化学式: C₁₂H₂₂
• 分子量: 166.307
• InChiKey: XEOXVBGLGLMRQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  6-methyl-4-(2-methylpropyl)hept-1-yne 、 (S)-N-Boc-2,2-二甲基噁唑烷-4-甲酸 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以20%的产率得到tert-butyl (4S)-4-[(1R)-1-hydroxy-7-methyl-5-(2-methylpropyl)oct-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
  参考文献：
  名称：

  Ceramides: Branched alkyl chains in the sphingolipid siblings of diacylglycerol improve biological potency

  摘要：

  The synthesis of a small number of ceramide analogues containing a combination of linear and highly branched alkyl chains on either the D-sphingosine or the N-acyl core of the molecule is reported. Regardless of location, the presence of the branched chain improves potency relative to the positive control, C2 ceramide; however, the most potent compound (4) has the branched side chain as part of the D-sphingosine core. The induction of apoptosis by 4 in terms of Annexin V binding and DiOC(6) labeling was superior to that achieved with C2 ceramide. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.005
• 作为产物：
  描述：

  (1-重氮基-2-氧代丙基)膦酸二甲酯 、 3-isobutyl-5-methylhexanal 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 以92%的产率得到6-methyl-4-(2-methylpropyl)hept-1-yne
  参考文献：
  名称：

  Ceramides: Branched alkyl chains in the sphingolipid siblings of diacylglycerol improve biological potency

  摘要：

  The synthesis of a small number of ceramide analogues containing a combination of linear and highly branched alkyl chains on either the D-sphingosine or the N-acyl core of the molecule is reported. Regardless of location, the presence of the branched chain improves potency relative to the positive control, C2 ceramide; however, the most potent compound (4) has the branched side chain as part of the D-sphingosine core. The induction of apoptosis by 4 in terms of Annexin V binding and DiOC(6) labeling was superior to that achieved with C2 ceramide. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.005