3-(1-methylethyl)-1,4-pentadiene | 41848-27-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 3-(1-methylethyl)-1,4-pentadiene
• 英文别名: 3-(1-Methylethyl)-1,4-pentadien；3-isopropyl-1,4-pentadiene；3-isopropyl-penta-1,4-diene；3-Isopropyl-1,4-pentadien；3-Propan-2-ylpenta-1,4-diene
• CAS: 41848-27-5
• 化学式: C₈H₁₄
• 分子量: 110.199
• InChiKey: MQOQMTWSRBYKHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  3-(1-methylethyl)-1,4-pentadiene 在 六甲基磷酰三胺 、 正丁基锂 、 jones reagent 、 Ra-Ni 、 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 (4aR,8R)-8-Isopropyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
  参考文献：
  名称：

  Unique bisannelation strategy. Total synthesis of epizonarene, clarification of cadalane stereochemistry, and allylic strain

  摘要：

  DOI：

  10.1021/jo01313a013
• 作为产物：
  描述：

  反-4-甲基-2-戊烯 、 乙炔 350.0 ℃ 、17.24 MPa 条件下， 生成 3-(1-methylethyl)-1,4-pentadiene 、 3,5-二甲基己-1,4-二烯
  参考文献：
  名称：

  Synthesis of 1,4-Diolefins¹

  摘要：

  DOI：

  10.1021/jo01013a012

文献信息

• Comparative study of the pyrolysis, photoinduced electron transfer (PET), and laser-jet and 185-nm photochemistry of alkyl-substituted bicyclic azoalkanes
  作者：Waldemar Adam、Uwe Denninger、Ralf Finzel、Fumio Kita、Herbert Platsch、Herbert Walter、Gerald Zang

  DOI：10.1021/ja00039a012

  日期：1992.6

  laser-jet and 185-nm photochemistry of 2,3-diazabicyclo[2.2.1]hept-2-ene (1a), syn-7-methyl-2,3-diazabicyclo[2.2.1]hept-2-ene (syn-1b), anti-7-methyl-2,3-diazabicyclo[2.2.1]hept-2-ene (anti-1b), 1,4-dimethyl-2,3-diazabicyclo[2.2.1]hept-2-ene (1c), 7,7-dimethyl-2,3-diazabicyclo[2.2.1]hept-2-ene (1d), and syn-7-(1-methylethyl)-2,3-diazabicyclo[2.2.1]hept-2-ene (syn-1e) were investigated and the results

  2,3-二氮杂双环[2.2.1]庚-2-烯(1a)、syn-7-methyl-2的气相热解、光致电子转移(PET)、激光喷射和185-nm光化学， 3-二氮杂双环[2.2.1]hept-2-ene (syn-1b), anti-7-methyl-2,3-diazabicyclo[2.2.1]hept-2-ene (anti-1b), 1,4-二甲基-2,3-二氮杂双环[2.2.1]庚-2-烯(1c)、7,7-二甲基-2,3-二氮杂双环[2.2.1]庚-2-烯(1d)和syn-7 -(1-甲基乙基)-2,3-二氮杂双环[2.2.1]庚-2-烯(syn-1e)进行了研究，并将它们的产品研究结果相互比较。偶氮烷烃 1 的热解和常规直接和二苯甲酮敏化的 350 nm 光解产生双环 [2.1.0] 戊烷 2 和数量可忽略不计的环戊烯 3
• Roth, Wolfgang R.; Staemmler, Volker; Neumann, Martin, Liebigs Annalen, 1995, # 6, p. 1061 - 1118
  作者：Roth, Wolfgang R.、Staemmler, Volker、Neumann, Martin、Schmuck, Carsten

  DOI：——

  日期：——
• Studies of the formation and stability of pentadienyl and 3-substituted pentadienyl radicals
  作者：K. Brady Clark、Peter N. Culshaw、David Griller、F. P. Lossing、J. A. Martinho Simoes、John C. Walton

  DOI：10.1021/jo00019a012

  日期：1991.9

  Pentadienyl radicals and their 3-methyl and 3-hydroxy derivatives were generated from the corresponding 1,4-pentadienes. The rates of hydrogen abstraction were studied by laser flash photolysis, and the bisallylic C-H bond dissociation energies were determined by photoacoustic calorimetry. Pentadienyl radicals were also generated by monoenergetic electron bombardment of 3-tert-butyl-1,4-pentadiene, and the radical's enthalpy of formation was deduced from the appearance energy of the tert-butyl cation. Evaluation of all recent data leads to recommended values of DELTA-H(f)-degrees (pentadienyl) = 49.8 +/- 1.0 kcal mol-1 and DH-degrees ((CH2 = CH)2CH) = 76.6 +/- 1.0 kcal mol-1. The EPR spectra of 3-methylpentadienyl and several other radicals were also examined. The effect of substituents on the stabilization energy of pentadienyl radicals was assessed, and pentadienyl radicals were compared with other delocalized polyenyl radicals.
• Synthesis of 1,4-Diolefins¹
  作者：N. F. Cywinski

  DOI：10.1021/jo01013a012

  日期：1965.2
• Unique bisannelation strategy. Total synthesis of epizonarene, clarification of cadalane stereochemistry, and allylic strain
  作者：Stephen R. Wilson、Raj N. Misra

  DOI：10.1021/jo01313a013

  日期：1980.12