4-Methyl-1,5-heptadien-4-ol | 101752-44-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Methyl-1,5-heptadien-4-ol
• 英文别名: 4-methyl-hepta-1,5-dien-4-ol；4-methyl-hepta-1,5t-dien-4-ol；(5E)-4-methylhepta-1,5-dien-4-ol
• CAS: 101752-44-7
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: LDWHKAGXBQNZCJ-FNORWQNLSA-N

物化性质

• 沸点：
  178.9±9.0 °C(Predicted)
• 密度：
  0.859±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 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：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Methyl-1,5-heptadien-4-ol 以 正戊烷 为溶剂， 生成 1-(2,4-二甲基环丁基)乙酮
  参考文献：
  名称：

  Synthesis of .omega.-bromo ketones

  摘要：

  DOI：

  10.1021/jo00430a009
• 作为产物：
  描述：

  3-戊烯-2-酮 、 烯丙基溴化镁 生成 4-Methyl-1,5-heptadien-4-ol
  参考文献：
  名称：

  Synthesis of .omega.-bromo ketones

  摘要：

  DOI：

  10.1021/jo00430a009

文献信息

• Use of Hine's D Values To Predict the Position of the Equilibrium in the Cope Rearrangement of Multiply Substituted 1,5-Dienes
  作者：James P. Hagen、Kemberly D. Lewis、Scott W. Lovell、Paolo Rossi、Ayse Z. Tezcan

  DOI：10.1021/jo00128a019

  日期：1995.11

  A series of 1,5-dienes (1a-f) were employed to test whether Hine's D values can predict the position of equilibrium in Cope rearrangements. In the cases of the substituent pairs [OCH3, H], [OCH3, CH3], [N(CH3)(2), H], [N(CH3)(2), CH3], and [N(CH3)(2), OCH3], equilibrium constants calculated with Hine's D values gave reasonable agreement with those obtained experimentally. Dienes 1g-i were prepared to test whether reduction of the pi-donating character of a nitrogen substituent (carbamoyl vs dimethylamino) would change the directing ability of the nitrogen group. The aggregate order of directing ability was N(CH3)(2) > OCH3 > EtO(2)CN(CH3) > CH3 > A. Diene 15a, with a more complicated substitution pattern (OCH3 and CH3 versus CH3 and H) not directly amenable to analysis with D values, can be considered to reduce to the case of [OCH3, H]. The experimental K-eq obtained agreed with that expected for the [OCH3, H] pair. Dienes 15c and 16b, designed to test the pairs [CH3, SPh] and [OCH3, SPh], respectively, decomposed under the gas phase conditions of the rearrangement. Attempts to effect rearrangement with Pd(II) catalysis failed.
• Organoboranes. 20. The facile allylboration of representative carbonyl compounds with B-allyl derivatives of 9-borabicyclo[3.3.1]nonane
  作者：Gary W. Kramer、Herbert C. Brown

  DOI：10.1021/jo00433a022

  日期：1977.6
• Leitch, Sarah K.; McCluskey, Adam, Synlett, 2003, # 5, p. 699 - 701
  作者：Leitch, Sarah K.、McCluskey, Adam

  DOI：——

  日期：——
• Boaretto, Andrea; Marton, Daniele; Silvestri, Rosanna, Gazzetta Chimica Italiana, 1985, vol. 115, # 7, p. 391 - 392
  作者：Boaretto, Andrea、Marton, Daniele、Silvestri, Rosanna、Tagliavini, Giuseppe

  DOI：——

  日期：——
• Daschkevitsch et al., 1957, vol. 22, p. 81,95
  作者：Daschkevitsch et al.

  DOI：——

  日期：——