(E)-2-fluoro-5-methyl-2-hexenoic acid | 602328-77-8

• 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)-2-fluoro-5-methyl-2-hexenoic acid
• 英文别名: (Z)-2-fluoro-5-methylhex-2-enoic acid
• CAS: 602328-77-8
• 化学式: C₇H₁₁FO₂
• 分子量: 146.162
• InChiKey: BXWZXSNEVITMNG-XQRVVYSFSA-N

物化性质

• 沸点：
  231.6±10.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  双丙酮葡萄糖 、 (E)-2-fluoro-5-methyl-2-hexenoic acid 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以72%的产率得到(1,2:5,6-di-O-isopropylidene-D-glucofuranose-3-O-yl) 2-fluoro-5-methyl-hexenoate
  参考文献：
  名称：

  Anionic versus photochemical diastereoselective deconjugation of diacetone d-glucose α,β-unsaturated esters

  摘要：

  Deconjugation of diacetone D-glucose alpha, beta-unsaturated esters has been conducted by deprotonation using NaHMDS with HMPA as co-solvent followed by stereoselective protonation at low temperature. High selectivities (>95%) were obtained with oc-methyl linear compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00365-3
• 作为产物：
  描述：

  异戊醛 在 氢氧化钾 、 水 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.5h， 生成 (E)-2-fluoro-5-methyl-2-hexenoic acid
  参考文献：
  名称：

  Anionic versus photochemical diastereoselective deconjugation of diacetone d-glucose α,β-unsaturated esters

  摘要：

  Deconjugation of diacetone D-glucose alpha, beta-unsaturated esters has been conducted by deprotonation using NaHMDS with HMPA as co-solvent followed by stereoselective protonation at low temperature. High selectivities (>95%) were obtained with oc-methyl linear compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(03)00365-3

文献信息

• COUTROT, PH.;GRISON, C.;SAUVETRE, R., J. ORGANOMET. CHEM., 332,(1987) N 1-2, 1-8
  作者：COUTROT, PH.、GRISON, C.、SAUVETRE, R.

  DOI：——

  日期：——
• Anionic versus photochemical diastereoselective deconjugation of diacetone d-glucose α,β-unsaturated esters
  作者：Frédéric Bargiggia、Olivier Piva

  DOI：10.1016/s0957-4166(03)00365-3

  日期：2003.7

  Deconjugation of diacetone D-glucose alpha, beta-unsaturated esters has been conducted by deprotonation using NaHMDS with HMPA as co-solvent followed by stereoselective protonation at low temperature. High selectivities (>95%) were obtained with oc-methyl linear compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.