3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one | 912628-10-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one
• 英文别名: 3-methyl-6-oxa-bicyclo[13.1.0]hexadecane-7-one
• CAS: 912628-10-5
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: AGXSFHYVBQSCAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二碘甲烷 在 diethylzinc 作用下， 以 甲基叔丁基醚 为溶剂， 以39.4%的产率得到3-methyl-6-oxabicyclo[13.1.0]hexadecan-7-one
  参考文献：
  名称：

  Cyclopropanated macrocyclic ketones and lactones

  摘要：

  本发明涉及一种新颖的环丙基化的大环酮和内酯化合物，其一般化学式为其中X是从0、N、S、CH或CH2组成的原子或官能团；Y是由1至20个碳原子组成的直链或支链碳氢基团；W是由1至20个碳原子组成的直链或支链碳氢基团；O是氧原子；以及这些新颖化合物在制造香水、古龙香水和个人护理产品等物品中的用途。

  公开号：

  US20060234883A1

文献信息

• Cyclopropanated Macrocyclic Ketones and Lactones
  申请人：Narula Anubhav P.S.

  公开号：US20090087402A1

  公开（公告）日：2009-04-02

  The present invention is directed to novel cyclopropanated macrocyclic ketone and lactone compounds of the general formula: wherein X is an atom or a functional group selected from the group consisting of O, N, S, R—CH, and CH2; wherein R is a C1-C3 alkyl group; wherein Y and W independently represent is a linear or branched alkyl or alkenyl group, optionally substituted, consisting of less than 10 and preferably less than 7 carbon atoms; and wherein O is an oxygen atom, and the use of these novel compounds in creating fragrances and scents in items such as perfumes, colognes, and personal care products.

  本发明涉及新的环丙基化的大环酮和内酯化合物，其一般式如下：其中X为从O、N、S、R—CH和CH2组成的群体中选取的原子或官能团；其中R为C1-C3烷基；其中Y和W分别表示线性或支链烷基或烯基，可选地取代，由少于10个碳原子组成，优选少于7个碳原子；并且O为氧原子。这些新化合物在创造香水、古龙香水和个人护理产品等物品的香味和气味方面有用。
• Cyclopropanated macrocyclic lactone
  申请人：International Flavors & Fragrances Inc.

  公开号：EP2301927A1

  公开（公告）日：2011-03-30

  The present invention is directed to a cyclopropanated macrocyclic lactone compound of the formula and the use of this compound in creating fragrances, and scents in items such as perfumes, colognes and personal care products.

  本发明涉及一种式如下的环丙烷化大环内酯化合物 以及该化合物在香水、古龙水和个人护理产品等产品中制造香料和香味的用途。
• Cyclopropanated macrocyclic ketone
  申请人：International Flavors & Fragrances, Inc.

  公开号：EP1712538B1

  公开（公告）日：2011-07-27
• CYCLOPROPANATION PROCESS
  申请人：Givaudan SA

  公开号：EP1828087B1

  公开（公告）日：2008-12-03
• Cyclopropanation Process
  申请人：Schroder Fridtjof

  公开号：US20080275256A1

  公开（公告）日：2008-11-06

  A process for the cyclopropanation of a substituted alkene, comprising the reaction of the alkene with a carbenoide, generated from dibromomethane and a tri-(C 2 -C 8 )-alkyl aluminium compound, in the presence of a catalytic amount of a metal compound selected from the group consisting of Lewis acids, metallocenes and metal carbonyl complexes. The process advantageously uses transition metal compounds as catalysts and the dibromomethane can be recovered. The process is especially useful for the preparation of ingredients for the flavour and fragrance industry.