(Z,E)-4,8-Cyclododecadiene-1-ol | 65763-10-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (Z,E)-4,8-Cyclododecadiene-1-ol
• 英文别名: (4Z,8E)-cyclododeca-4,8-dien-1-ol
• CAS: 65763-10-2
• 化学式: C₁₂H₂₀O
• 分子量: 180.29
• InChiKey: XAJLPBKMTIMYBM-QZCWQUCJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  (Z,E)-4,8-Cyclododecadiene-1-ol 、 重铬酸钠 以73%的产率得到
  参考文献：
  名称：

  DEHMLOW E. V.; JOSWIG H. P., J. LIEBIGS ANN. CHEM. , 1975, NO 5, 916-918

  摘要：

  DOI：
• 作为产物：
  描述：

  9,10-环氧-1,5-环十二碳二烯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (Z,E)-4,8-Cyclododecadiene-1-ol 、 (E,Z)-4,8-Cyclododecadiene-1-ol
  参考文献：
  名称：

  Cathodic reduction of (Z,E)-4,8-cyclododecadien-1-one. Studies on the regiochemistry and mechanism of ketyl radical anion intramolecular cyclizations

  摘要：

  The electroreductive transannular cyclization of the title compound was studied. It was found that two bicyclic alcohols are formed and their structure was determined by using 2D-NMR techniques and a lanthanide shift reagent (LSR). MM2 calculations were also performed to confirm the proposed structures. The evidence presented here supports a reversible cyclization of the initially formed ketyl radical to yield bicyclic alcohol products.

  DOI：

  10.1021/jo00007a032

文献信息

• CYCLODODECADIENOL DERIVATIVES AS PERFUMING INGREDIENTS
  申请人：FIRMENICH SA

  公开号：US20140378359A1

  公开（公告）日：2014-12-25

  The present invention relates to a composition of matter comprising at least 95% w/w of at least one compound of formula (I), wherein R group is a C 1 — 6 alkyl group optionally comprising an ether functional group; and wherein each carbon-carbon double bond of said compound, independently from each other, can be in a configuration Z or E; which is a useful perfuming ingredient.

  本发明涉及一种物质组成，其中至少包含95% w/w的式（I）中的至少一种化合物，其中R基是C1-6烷基，可选地包括醚官能团；该化合物的每个碳-碳双键独立于彼此，可以处于Z或E构型；该组成物是一种有用的香料成分。
• US9187710B2
  申请人：——

  公开号：US9187710B2

  公开（公告）日：2015-11-17
• [EN] CYCLODODECADIENOL DERIVATIVES AS PERFUMING INGREDIENTS<br/>[FR] DÉRIVÉS DE CYCLODODÉCADIÉNOL UTILISÉS COMME SUBSTANCES PARFUMANTES
  申请人：FIRMENICH & CIE

  公开号：WO2013107673A1

  公开（公告）日：2013-07-25

  The present invention relates to a composition of matter comprising at least 95% w/w of at least one compound of formula (I), wherein R group is a C1_6 alkyl group optionally comprising an ether functional group; and wherein each carbon-carbon double bond of said compound, independently from each other, can be in a configuration Z or E; which is a useful perfuming ingredient.