3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one | 244614-20-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one
• 英文别名: 3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one
• CAS: 244614-20-8
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: XOLMHMBQANBLAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 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-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-one 在 sodium borohydrid 作用下， 以 乙醇 为溶剂， 生成 Polysantol (R)
  参考文献：
  名称：

  Hydroxylic campholenic aldehyde derivatives, their utilization as

  摘要：

  新化合物的化学式为##STR1##其中：a. R.sup.1 =CH.sub.3；n=m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，b. R.sup.1 =CH.sub.2；n=0；m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，c. R.sup.1 =CH--CH.sub.3；n=0；m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，d. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.4 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5，e. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.3 =R.sup.4 =CH.sub.3，f. R.sup.1 =H；n=m=0；R.sup.2 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5；R.sup.4 =H，g. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.3 =CH.sub.3；R.sup.4 =H，h. R.sup.1 =H；n=m=1；R.sup.2 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5；R.sup.4 =H，i. R.sup.1 =H；n=m=1；R.sup.2 =R.sup.3 =CH.sub.3；R.sup.4 =H，其中一个虚线代表一个碳-碳键，另一个代表双键，或者它们各自代表一个单键，具有檀香类似的气味特性，因此可用于制备香水和带香味的产品。

  公开号：

  US04610813A1

文献信息

• Hydroxylic campholenic aldehyde derivatives, their utilization as
  申请人：Firmenich SA

  公开号：US04610813A1

  公开（公告）日：1986-09-09

  Novel compounds of formula ##STR1## wherein: a. R.sup.1 =CH.sub.3 ; n=m=1; R.sup.2 =CH.sub.3 ; R.sup.3 =R.sup.4 =H, b. R.sup.1 =CH.sub.2 ; n=0; m=1; R.sup.2 =CH.sub.3 ;R.sup.3 =R.sup.4 =H, C. R.sup.1 =CH--CH.sub.3 ; n=0; m=1; R.sup.2 =CH.sub.3 ; R.sup.3 =R.sup.4 =H, d. R.sup.1 =H; n=m=0; R.sup.2 =R.sup.4 =CH.sub.3 ; R.sup.3 =C.sub.2 H.sub.5, e. R.sup.1 =H; n=m=0; R.sup.2 =R.sup.3 =R.sup.4 =CH.sub.3, f. R.sup.1 =H; n=m=0; R.sup.2 =CH.sub.3 ; R.sup.3 =C.sub.2 H.sub.5 ; R.sup.4 =H, g. R.sup.1 =H; n=m=0; R.sup.2 =R.sup.3 =CH.sub.3 ; R.sup.4 =H, h. R.sup.1 =H; n=m=1; R.sup.2 =CH.sub.3 ; R.sup.3 =C.sub.2 H.sub.5 ; R.sup.4 =H i. R.sup.1 =H; n=m=1; R.sup.2 =R.sup.3 =CH.sub.3 ; R.sup.4 =H and wherein one of the dotted lines stands for a single carbon-carbon bond and the other one for a double bond, or each of them designates a single bond, possess odorous properties of sandalwood type and consequently can find a utility for the preparation of perfumes and perfumed products.

  新化合物的化学式为##STR1##其中：a. R.sup.1 =CH.sub.3；n=m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，b. R.sup.1 =CH.sub.2；n=0；m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，c. R.sup.1 =CH--CH.sub.3；n=0；m=1；R.sup.2 =CH.sub.3；R.sup.3 =R.sup.4 =H，d. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.4 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5，e. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.3 =R.sup.4 =CH.sub.3，f. R.sup.1 =H；n=m=0；R.sup.2 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5；R.sup.4 =H，g. R.sup.1 =H；n=m=0；R.sup.2 =R.sup.3 =CH.sub.3；R.sup.4 =H，h. R.sup.1 =H；n=m=1；R.sup.2 =CH.sub.3；R.sup.3 =C.sub.2 H.sub.5；R.sup.4 =H，i. R.sup.1 =H；n=m=1；R.sup.2 =R.sup.3 =CH.sub.3；R.sup.4 =H，其中一个虚线代表一个碳-碳键，另一个代表双键，或者它们各自代表一个单键，具有檀香类似的气味特性，因此可用于制备香水和带香味的产品。