1-溴-4-甲基辛烷 | 191925-28-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 中文名称: 1-溴-4-甲基辛烷
• 英文名称: 1-Bromo-4-methyloctane
• 英文别名: (+/-)-1-bromo-4-methyl-octane；1-bromo-4-methyl-octane；1-Brom-4-methyl-octan；inaktives 1-Brom-4-methyl-octan；(+/-)-1-Brom-4-methyl-octan
• CAS: 191925-28-7
• 化学式: C₉H₁₉Br
• 分子量: 207.154
• InChiKey: DCTAAKPMKJWSBM-UHFFFAOYSA-N

物化性质

• 沸点：
  88-89 °C(Press: 12 Torr)
• 密度：
  1.086±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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：

  1-溴-4-甲基辛烷 在 氢氧化钾 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 5.12h， 生成 2-(4-Methyl-octyl)-malonic acid
  参考文献：
  名称：

  Do enzymes recognise remotely located stereocentres? Highly enantioselective Candida rugosa lipase-catalysed esterification of the 2- to 8-methyldecanoic acids

  摘要：

  Several racemic methyl decanoic acids have been synthesised and Successfully resolved in esterification with 1-hexadecanol at a(w)=0.8 in cyclohexane using immobilised Candida rugosa lipase (CRL) as the catalyst. The enantiomeric ratios (E=2.8-68) obtained were surprisingly high even when the methyl group was as remotely located as in 8-methyldecanoic acid (E=25). Interestingly, the lipase shows enantiopreference for the S-enantiomer when the methyl group is located on even numbered carbons i.e. for the 2-,4-,6- and 8-methyldecanoic acids and to the R-enantiomer when the methyl group is located on uneven numbered carbons i.e. for the 3-,5- and 7-methyldecanoic acids. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(02)00172-6
• 作为产物：
  描述：

  4-甲基辛酸 在 磷化氢 、 lithium aluminium tetrahydride 、 溴 作用下， 以 乙醚 为溶剂， 生成 1-溴-4-甲基辛烷
  参考文献：
  名称：

  Do enzymes recognise remotely located stereocentres? Highly enantioselective Candida rugosa lipase-catalysed esterification of the 2- to 8-methyldecanoic acids

  摘要：

  Several racemic methyl decanoic acids have been synthesised and Successfully resolved in esterification with 1-hexadecanol at a(w)=0.8 in cyclohexane using immobilised Candida rugosa lipase (CRL) as the catalyst. The enantiomeric ratios (E=2.8-68) obtained were surprisingly high even when the methyl group was as remotely located as in 8-methyldecanoic acid (E=25). Interestingly, the lipase shows enantiopreference for the S-enantiomer when the methyl group is located on even numbered carbons i.e. for the 2-,4-,6- and 8-methyldecanoic acids and to the R-enantiomer when the methyl group is located on uneven numbered carbons i.e. for the 3-,5- and 7-methyldecanoic acids. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(02)00172-6

文献信息

• BRANCHED-CHAIN FATTY ACIDS. XIII. PREPARATION OF BRANCHED AND NORMAL ACIDS FOR USE IN THE STUDY OF MELTING POINTS OF BINARY MIXTURES. COMPLETION OF THE METHYLOCTADECANOIC ACID SERIES
  作者：JAMES CASON、W. ROBERT WINANS

  DOI：10.1021/jo01147a023

  日期：1950.1
• Ciocan-Tarta, Ilie; Oprean, Ioan; Ghizdavu, Iustin, Revue Roumaine de Chimie, 1998, vol. 43, # 3, p. 215 - 219
  作者：Ciocan-Tarta, Ilie、Oprean, Ioan、Ghizdavu, Iustin、Pojar-Fenesan, Maria

  DOI：——

  日期：——
• Wilson, Journal of the American Chemical Society, 1945, vol. 67, p. 2162
  作者：Wilson

  DOI：——

  日期：——
• TAKANO, SEHJITI;OGASAVARA, KUNIRO;SIBATA, TOSIXIRO;KIMURA, MASAKI;KUROSAV+
  作者：TAKANO, SEHJITI、OGASAVARA, KUNIRO、SIBATA, TOSIXIRO、KIMURA, MASAKI、KUROSAV+

  DOI：——

  日期：——
• GUSS, P. L.;TUMLINSON, J. H. ,, III;SONNET, P. E.;MCLAUGHLIN, J. R.
  作者：GUSS, P. L.、TUMLINSON, J. H. ,, III、SONNET, P. E.、MCLAUGHLIN, J. R.

  DOI：——

  日期：——