3-Methyl-16-oxabicyclo[13.1.0]hexadecan-5-one | 1060737-45-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 3-Methyl-16-oxabicyclo[13.1.0]hexadecan-5-one
• CAS: 1060737-45-2
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: MUKCONMNWQMILL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 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：
  29.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methyl-16-oxabicyclo[13.1.0]hexadecan-5-one 在 sodium hydroxide 、 sodium hydridoborate 、 水 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 3-Methyl-16-oxabicyclo[13.1.0]hexadecan-5-ol
  参考文献：
  名称：

  US2008/234174

  摘要：

  公开号：
• 作为产物：
  描述：

  甲基环十五烯酮 在 过氧乙酸 、 sodium acetate 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 3-Methyl-16-oxabicyclo[13.1.0]hexadecan-5-one
  参考文献：
  名称：

  US2008/234174

  摘要：

  公开号：

文献信息

• METHOD FOR PRODUCING CYCLIC DIKETONE COMPOUND
  申请人：Kao Corporation

  公开号：EP3199514A1

  公开（公告）日：2017-08-02

  Provided is a method for producing a compound represented by general formula (I) by oxidative cleavage of a compound of formula (II), which is a bicyclic tetrasubstituted olefin compound, using hydrogen peroxide. The method for producing a compound represented by general formula (I) includes a step of subjecting a compound represented by general formula (II) to oxidative cleavage using hydrogen peroxide in the presence of an acid catalyst or in the presence of a tungstic acid compound to obtain the compound represented by general formula (I): [In the formulae, formula -A1- (where the front bond denotes a bond that bonds with a carbon atom C1 while the back bond denotes a bond that bonds with a carbon atom C2) is an alkylene group having 2 to 6 carbon atoms that may have been substituted and that may further include an ether bond, an ester bond, a secondary amino group, a thioether group, or these, and formula -A2- (where the front bond denotes a bond that bonds with a carbon atom C1 while the back bond denotes a bond that bonds with a carbon atom C2) is an alkylene group having 4 to 10 carbon atoms that may have been substituted and that may further include an ether bond, an ester bond, a secondary amino group, a thioether group, or these.]

  本发明提供了一种利用过氧化氢氧化裂解通式（II）化合物生产通式（I）所代表化合物的方法，通式（II）化合物是一种双环四取代烯烃化合物。生产通式(I)所代表的化合物的方法包括以下步骤：在酸催化剂存在下或在钨酸化合物存在下，使用过氧化氢使通式(II)所代表的化合物氧化裂解，以获得通式(I)所代表的化合物： [在式中，式-A1-（其中前键表示与碳原子 C1 结合的键，后键表示与碳原子 C2 结合的键）是具有 2 至 6 个碳原子的亚烷基，该亚烷基可能已被取代，并可能进一步包括醚键、酯键、仲氨基、硫醚基、或这些，而式 -A2-（其中前键表示与碳原子 C1 结合的键，后键表示与碳原子 C2 结合的键）是具有 4 至 10 个碳原子且可能已被取代的亚烷基，可进一步包括醚键、酯键、仲氨基、硫醚基团或这些。]
• FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES
  申请人：Hoelscher Bernd

  公开号：US20080234174A1

  公开（公告）日：2008-09-25

  The present invention relates to compounds of the formula (I) and the formula (Ia) wherein R 1 , R 2 and R 3 mutually independently mean hydrogen or methyl, odoriferous and/or aroma substance compositions comprising one or more compounds according to the invention of the formula (I) and/or formula (Ia), perfumed products and aromatized products in each case comprising one or more compounds according to the invention of the formula (I) and/or formula (Ia), and to uses of one or more compounds according to the invention of the formula (I) and/or formula (Ia) as odoriferous and/or aroma substances and methods of producing compounds according to the invention of the formula (I) and formula (Ia).
• US7615526B2
  申请人：——

  公开号：US7615526B2

  公开（公告）日：2009-11-10