3,7-dimethyl-octa-2,4-dien-1-ol | 38376-09-9

• 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: 3,7-dimethyl-octa-2,4-dien-1-ol
• 英文别名: 3,7-Dimethyl-2,4-octadien-1-ol；3,7-Dimethlocta-2,4-dien-1-ol；3,7-Dimethylocta-2,4-dien-1-ol
• CAS: 38376-09-9
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: COKJYWNZRDWYJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  3,7-dimethyl-octa-2,4-dien-1-ol 生成 (3E)-3,4-didehydro-1,2-dihydro-ψ,ψ-carotene
  参考文献：
  名称：

  Bacterial Carotenoids. XLVIII. Total Syntheses of Carotenes of the 1,2-Dihydro Series.

  摘要：

  The total syntheses of 1,2,7,8,1',2',7',8'-octahydro-psi,psi-carotene (1), 1,2,7,8-tetrahydro-psi,psi-carotene (2), 1,2,1',2'-tetradehydro-psi,psi-carotene (3), 1,2-dihydro-psi,psi-carotene (4), 1,2-dihydor-3,4-didehydro-psi,psi-carotene (5), and 1,2,1',2'-tetrahydro-3,4,3',4'-tetrahydro-psi,psi-carotene (6) are described. The properties of products and intermediates, including the three new apocarotenals 1,2,7,8-tetrahydro-12'-apo-psi-caroten-12'-al (20), 1,2-dihydro-8'-apo-pse-caroten-8'-al (25), and 1,2-dihydro-3,4-didehydro-8'-apo-psi-carotene-8'-al (32), are reported. A fragment ion at M68 on electron impact appears to be characteristic for carotenoids with a 1,2,7,8-tetrahydro end-group.

  DOI：

  10.3891/acta.chem.scand.29b-1015
• 作为产物：
  描述：

  4-diethoxyphosphoryl-3-methyl-but-2-enoic acid methyl ester 、 异戊醛 生成 3,7-dimethyl-octa-2,4-dien-1-ol
  参考文献：
  名称：

  Bacterial Carotenoids. XLVIII. Total Syntheses of Carotenes of the 1,2-Dihydro Series.

  摘要：

  The total syntheses of 1,2,7,8,1',2',7',8'-octahydro-psi,psi-carotene (1), 1,2,7,8-tetrahydro-psi,psi-carotene (2), 1,2,1',2'-tetradehydro-psi,psi-carotene (3), 1,2-dihydro-psi,psi-carotene (4), 1,2-dihydor-3,4-didehydro-psi,psi-carotene (5), and 1,2,1',2'-tetrahydro-3,4,3',4'-tetrahydro-psi,psi-carotene (6) are described. The properties of products and intermediates, including the three new apocarotenals 1,2,7,8-tetrahydro-12'-apo-psi-caroten-12'-al (20), 1,2-dihydro-8'-apo-pse-caroten-8'-al (25), and 1,2-dihydro-3,4-didehydro-8'-apo-psi-carotene-8'-al (32), are reported. A fragment ion at M68 on electron impact appears to be characteristic for carotenoids with a 1,2,7,8-tetrahydro end-group.

  DOI：

  10.3891/acta.chem.scand.29b-1015