2-benzyl-4-methyl-hexahydro-benzo[1,3]dioxine | 1373821-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: 2-benzyl-4-methyl-hexahydro-benzo[1,3]dioxine
• 英文别名: 2-Benzyl-4-methylhexahydro-4H-1,3-benzodioxin；2-benzyl-4-methyl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
• CAS: 1373821-23-8
• 化学式: C₁₆H₂₂O₂
• 分子量: 246.349
• InChiKey: MNBLGXDUGKWAQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• New bicyclic dioxanes, their preparation and their use as organoleptic compounds
  申请人：V.Mane Fils

  公开号：EP2287159A1

  公开（公告）日：2011-02-23

  The present invention relates to novel 1,3-dioxane derivatives of formula (I) wherein each of R1 and R2 is a hydrogen atom, R3 and R4 are independently a hydrogen atom, a linear or branched C1-C6 alkyl group, or a linear or branched C2-C6 alkenyl group, and R5 is a linear or branched C1-C6 alkyl group, a linear or branched C2-C6 alkenyl group or a (CH2)0-2 - aryl group, and R6 and R7 are independently a hydrogen atom, a linear or branched C1-C6 alkyl group, a linear or branched C2-C6 alkenyl group or a (CH2)0-2 - aryl group, or R6 and R7 together with the carbon atom to which they are attached form a C5-C6 cycloalkyl group or a C5-C6 cycloalkenyl group, substituted or not; their preparation and their use as organoleptic compounds.

  本发明涉及新颖的1,3-二噁烷衍生物，其化学式为（I），其中R1和R2中的每个都是氢原子，R3和R4分别是氢原子、直链或支链的C1-C6烷基基团，或直链或支链的C2-C6烯基基团，R5是直链或支链的C1-C6烷基基团、直链或支链的C2-C6烯基基团或（CH2）0-2芳基基团，R6和R7分别是氢原子、直链或支链的C1-C6烷基基团、直链或支链的C2-C6烯基基团或（CH2）0-2芳基基团，或者R6和R7与它们连接的碳原子一起形成取代或非取代的C5-C6环烷基基团或C5-C6环烯基基团；它们的制备及其用作感官化合物。
• [EN] NEW BICYCLIC DIOXANES, THEIR PREPARATION AND THEIR USE AS FRAGRANT COMPOUNDS<br/>[FR] NOUVEAUX DIOXANES BICYCLIQUES, LEUR PRÉPARATION ET LEUR UTILISATION EN TANT QUE COMPOSÉS DE PARFUM
  申请人：MANE FILS V

  公开号：WO2011013077A1

  公开（公告）日：2011-02-03

  The invention is directed to the use of compounds of formula (I), as fragrant agents. In this formula: - R3 and R4 are independently a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group, R5 is a C1-C6 alkyl group, a C2-C6 alkenyl group or a (CH2)0-2-aryl group, R6 is a C1 -C6 alkyl group, a C2-C6 alkenyl group, a (CH2)0-2-aryl group or a C5- C6 cycloalkyl or cycloalkenyl group, and R7 is a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group; or R3, R4 and R5 are as above defined, and R6 and R7 together with the carbon atom to which they are attached form a C5-C6 cycloalkyl or cycloalkenyl group.

  该发明涉及使用式（I）的化合物作为香料剂。在这个式子中：- R3和R4独立地是氢原子，C1-C6烷基或C2-C6烯基，R5是C1-C6烷基，C2-C6烯基或（CH2）0-2-芳基，R6是C1-C6烷基，C2-C6烯基，（CH2）0-2-芳基或C5-C6环烷基或环烯基，R7是氢原子，C1-C6烷基或C2-C6烯基；或者R3，R4和R5如上定义，R6和R7与它们连接的碳原子一起形成C5-C6环烷基或环烯基。
• New Bicyclic Dioxanes, Their Preparation and Their Use as Fragrant Compounds
  申请人：Chanot Jean-Jacques

  公开号：US20120165557A1

  公开（公告）日：2012-06-28

  The invention is directed to the use of compounds of formula (I), as fragrant agents. In this formula: —R 3 and R 4 are independently a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group, R 5 is a C1-C6 alkyl group, a C2-C6 alkenyl group or a (CH2) 0-2 -aryl group, R 6 is a C1-C6 alkyl group, a C2-C6 alkenyl group, a (CH2) 0-2 -aryl group or a C5-C6 cycloalkyl or cycloalkenyl group, and R 7 is a hydrogen atom, a C1-C6 alkyl group or a C2-C6 alkenyl group; or R 3 , R 4 and R 5 are as above defined, and R 6 and R 7 together with the carbon atom to which they are attached form a C5-C6 cycloalkyl or cycloalkenyl group.

  本发明涉及使用式（I）化合物作为香味剂。在此式中：—R3和R4独立地是氢原子、C1-C6烷基或C2-C6烯基基团，R5是C1-C6烷基、C2-C6烯基或（CH2）0-2芳基基团，R6是C1-C6烷基、C2-C6烯基、（CH2）0-2芳基基团或C5-C6环烷基或环烯基基团，而R7是氢原子、C1-C6烷基或C2-C6烯基基团；或者R3、R4和R5如上所定义，而R6和R7连同它们所连接的碳原子形成C5-C6环烷基或环烯基基团。
• NEW BICYCLIC DIOXANES, THEIR PREPARATION AND THEIR USE AS FRAGRANT COMPOUNDS
  申请人：V. Mane Fils

  公开号：EP2459546A1

  公开（公告）日：2012-06-06
• US8569518B2
  申请人：——

  公开号：US8569518B2

  公开（公告）日：2013-10-29