Formic acid 1,5-dimethyl-hex-4-enyl ester | 50693-99-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Formic acid 1,5-dimethyl-hex-4-enyl ester
• 英文别名: 5-Hepten-2-ol, 6-methyl-, 2-formate；6-methylhept-5-en-2-yl formate
• CAS: 50693-99-7
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: HCPMPJFOUGBPNF-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：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-二硝基苯肼 、 Formic acid 1,5-dimethyl-hex-4-enyl ester 生成 4-Formyloxy-valeraldehyd-<2,4-dinitrophenylhydrazon>
  参考文献：
  名称：

  Stoffwechselprodukte von Mikroorganismen。186. Mitteilung。死于Apochalasine A，B，C和D † ‡

  摘要：

  微生物的代谢产物。天冬氨酸蛋白酶A，B，C和D

  DOI：

  10.1002/hlca.19790620516
• 作为产物：
  描述：

  6-methylhept-5-en-2-yl 9H-xanthene-9-carboxylate 以 乙醇 为溶剂， 以42%的产率得到3-isopropyl-6-methyltetrahydro-2H-pyran-2-one
  参考文献：
  名称：

  Novel photolactonisation from xanthenoic esters

  摘要：

  In the context of our work on photocleavable fragrance precursors, we have discovered a new photo-fragmentation of xanthenoic esters into xanthene- and formyl radicals. This homolytic cleavage has not been reported previously. Thus, unsaturated formyl radicals cyclise to lactones of various ring size. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01296-5

文献信息

• Radical reactions of epoxy esters induced by titanocene chloride
  作者：A. Fernández-Mateos、P. Herrero Teijón、R. Rabanedo Clemente、R. Rubio González

  DOI：10.1016/j.tetlet.2006.08.124

  日期：2006.10

  The reductive radical cyclizations of several epoxy esters have been achieved using titanocene chloride. The tether length from the initial radical to the carbonyl acceptor is the key of the reactions. We obtained products from radical cyclization onto carbonyl formate and products from formate and hydrogen elimination. The stereochemical outcome of the 5-exo radical cyclization of two diastereomers is reported. A radical cascade cyclization of an unsaturated epoxy formate is also described. (c) 2006 Elsevier Ltd. All rights reserved.