5-ethyltridecan-7-ol | 1197385-46-8

• 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: 5-ethyltridecan-7-ol
• CAS: 1197385-46-8
• 化学式: C₁₅H₃₂O
• 分子量: 228.418
• InChiKey: NELQQLTULNJDFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  16
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-ethyltridecan-7-ol 在 aluminum oxide 、 pyridinium chlorochromate 作用下， 以 正己烷 为溶剂， 反应 24.0h， 以94%的产率得到5-ethyltridecan-7-one
  参考文献：
  名称：

  Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s

  摘要：

  Phenyleneethynylene-based conjugated copolymers using benzo[1,2-d:4,5-d']bis[1,3]dioxole (BDO) in the repeating unit are reported. The electronic structure of the BDO unit imparts a localized HOMO topology while the LUMO is delocalized over the polymer backbone, so that the lowest optical absorption band of the polymer has considerable intramolecular charge transfer character. This contrasts with published donor-acceptor polymers with localized LUMO and delocalized HOMO. The very large Stokes shifts of the monomers, which are due to the small oscillator strength of the lowest optical transition, are largely retained in the polymers as a result of covalently constrained dihedral angles in the substituents (not the backbone), as predicted/explained by calculations.

  DOI：

  10.1021/ja9068134
• 作为产物：
  描述：

  溴代异辛烷 、 庚醛 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以53%的产率得到5-ethyltridecan-7-ol
  参考文献：
  名称：

  Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s

  摘要：

  Phenyleneethynylene-based conjugated copolymers using benzo[1,2-d:4,5-d']bis[1,3]dioxole (BDO) in the repeating unit are reported. The electronic structure of the BDO unit imparts a localized HOMO topology while the LUMO is delocalized over the polymer backbone, so that the lowest optical absorption band of the polymer has considerable intramolecular charge transfer character. This contrasts with published donor-acceptor polymers with localized LUMO and delocalized HOMO. The very large Stokes shifts of the monomers, which are due to the small oscillator strength of the lowest optical transition, are largely retained in the polymers as a result of covalently constrained dihedral angles in the substituents (not the backbone), as predicted/explained by calculations.

  DOI：

  10.1021/ja9068134

文献信息

• Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s
  作者：Tanmoy Dutta、Kathy B. Woody、Sean R. Parkin、Mark D. Watson、Johannes Gierschner

  DOI：10.1021/ja9068134

  日期：2009.12.2

  Phenyleneethynylene-based conjugated copolymers using benzo[1,2-d:4,5-d']bis[1,3]dioxole (BDO) in the repeating unit are reported. The electronic structure of the BDO unit imparts a localized HOMO topology while the LUMO is delocalized over the polymer backbone, so that the lowest optical absorption band of the polymer has considerable intramolecular charge transfer character. This contrasts with published donor-acceptor polymers with localized LUMO and delocalized HOMO. The very large Stokes shifts of the monomers, which are due to the small oscillator strength of the lowest optical transition, are largely retained in the polymers as a result of covalently constrained dihedral angles in the substituents (not the backbone), as predicted/explained by calculations.