5a,6-Dihydro-1,5-benzodioxepin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧环庚烷
• 英文名称: 5a,6-Dihydro-1,5-benzodioxepin-3-one
• 英文别名: 5a,6-dihydro-1,5-benzodioxepin-3-one
• 化学式: C₉H₁₀O₃
• 分子量: 166.17
• InChiKey: LBYNXXWRBVTTSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• NOVEL CYCLOALKANE ALDEHYDES, METHOD FOR PREPARING SAME, AND USE THEREOF IN THE PERFUME INDUSTRY
  申请人：V. Mane Fils

  公开号：US20140221503A1

  公开（公告）日：2014-08-07

  The invention relates to a compound of general formula I represented below: wherein: R1, R2 and R3 each independently represent a hydrogen atom or saturated or unsaturated, branched or non-branched C1 to C5 alkyl group; m is an integer between 1 and 4; n is an integer between 2 and 4; characterised in that the ring is saturated and comprises from 5 to 8 carbons, that the total number of carbons of the ring and of the radicals R1, R2 and R3 is between 7 and 11 and it being understood that said compound of formula (I) is not: 6-cycloheptylidenehexanal 4-(4-methylcyclohexylidene)-butanal 4-(4-tert-butylcyclohexylidene)-butanal 4-(3,3,5-trimethylcyclohexylidene)-butanal as well as a method of synthesising said compounds, and their uses in perfumery.

  本发明涉及一种通式I的化合物，其表示如下： 其中：R1、R2和R3各自独立地表示氢原子或饱和或不饱和的支链或非支链C1至C5烷基；m是1到4之间的整数；n是2到4之间的整数；其特征在于环是饱和的，包含5到8个碳，环和基团R1、R2和R3的总碳数在7到11之间，并且明确地指出，该通式（I）的化合物不是：6-环庚烯基己醛、4-(4-甲基环己烯基)-丁醛、4-(4-叔丁基环己烯基)-丁醛、4-(3,3,5-三甲基环己烯基)-丁醛，以及合成该化合物的方法和其在香料中的用途。
• US9051531B2
  申请人：——

  公开号：US9051531B2

  公开（公告）日：2015-06-09