3,3-dimethyl-hex-4t-enal | 1777-31-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,3-dimethyl-hex-4t-enal
• 英文别名: trans-3,3-Dimethyl-hexen-(4)-al-(1)；3,3-Dimethyl-hex-4-enal；(E)-3,3-dimethylhex-4-enal
• CAS: 1777-31-7
• 化学式: C₈H₁₄O
• 分子量: 126.199
• InChiKey: LKCRGICLRRWXNN-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-hex-4t-enal 在 钯 氢气 、 silver(l) oxide 作用下， 以 乙醇 为溶剂， 生成 3,3-二甲基己酸
  参考文献：
  名称：

  The Steric Course of the Claisen Rearrangement

  摘要：

  An infrared study of the stereochemistry attending the Claisen rearrangement of cis- and trans-alpha,gamma-dimethylallyl and two other related vinyl ethers has shown that the reaction produces essentially only trans substituted allylacetaidehydes. The double bond in the o-Claisen rearrangement product of trans-alpha, gamma-dimethylallyl phenyl ether has also been demonstrated by infrared absorption to be predominantly trans. The transition state geometry of the Claisen rearrangement implied by these findings is discussed.

  DOI：

  10.1021/ja01502a057
• 作为产物：
  描述：

  4-甲基-3-戊醇 在 mercury(II) diacetate 作用下， 生成 3,3-dimethyl-hex-4t-enal
  参考文献：
  名称：

  The Steric Course of the Claisen Rearrangement

  摘要：

  An infrared study of the stereochemistry attending the Claisen rearrangement of cis- and trans-alpha,gamma-dimethylallyl and two other related vinyl ethers has shown that the reaction produces essentially only trans substituted allylacetaidehydes. The double bond in the o-Claisen rearrangement product of trans-alpha, gamma-dimethylallyl phenyl ether has also been demonstrated by infrared absorption to be predominantly trans. The transition state geometry of the Claisen rearrangement implied by these findings is discussed.

  DOI：

  10.1021/ja01502a057

文献信息

• Cresson,P., Bulletin de la Societe Chimique de France, 1964, p. 2629 - 2635
  作者：Cresson,P.

  DOI：——

  日期：——
• CAHIEZ, GERARD;ALAMI, MOUAD, TETRAHEDRON LETT., 30,(1989) N2, C. 7365-7368
  作者：CAHIEZ, GERARD、ALAMI, MOUAD

  DOI：——

  日期：——
• The Steric Course of the Claisen Rearrangement
  作者：Albert W. Burgstahler

  DOI：10.1021/ja01502a057

  日期：1960.9

  An infrared study of the stereochemistry attending the Claisen rearrangement of cis- and trans-alpha,gamma-dimethylallyl and two other related vinyl ethers has shown that the reaction produces essentially only trans substituted allylacetaidehydes. The double bond in the o-Claisen rearrangement product of trans-alpha, gamma-dimethylallyl phenyl ether has also been demonstrated by infrared absorption to be predominantly trans. The transition state geometry of the Claisen rearrangement implied by these findings is discussed.
• Guiard,B. et al., Bulletin de la Societe Chimique de France, 1976, p. 1552 - 1560
  作者：Guiard,B. et al.

  DOI：——

  日期：——