5-Oxotetrahydro-4h-chromene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-Oxotetrahydro-4h-chromene
• 英文别名: 2,3,4,4a,6,7-hexahydrochromen-5-one
• 化学式: C₉H₁₂O₂
• 分子量: 152.19
• InChiKey: WRQOURXOIYWCFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] (5H)-1 -BENZOPYRAN-5-ONE DERIVATIVES AND FORMULATIONS FOR PERFUMERY AND FLAVOR APPLICATIONS<br/>[FR] DÉRIVÉS DE (5H)-1-BENZOPYRAN-5-ONE ET FORMULATIONS DESTINÉS À DES APPLICATIONS DE PARFUMERIE ET AROMATIQUES
  申请人：S H KELKAR & COMPANY PVT LTD

  公开号：WO2014064716A1

  公开（公告）日：2014-05-01

  An embodiment of the present invention pertains to molecules of general formula A and formula B, namely substituted hexahydro-(5H)-1-benzopyran-5-one (or hexahydro-(5H)-chromen-5-one) derivatives and substituted tetrahydro-(5H)-1- benzopyran-5-one (or tetrahydro-(5H)-chromen-5-one) derivatives respectively, wherein each of R1, R2, R3, R4, R5, R6, R7, R8, R9 and R10 are independently selected from the group consisting of hydrogen, methyl, ethyl n-propyl, isopropyl, n-butyl, isobutyl, n-pentyl, isopentyl or similar groups. This patent includes methods for synthesizing compounds of general formula A and compounds of general formula B and Perfumery/cosmetic compositions comprising an olfactory acceptable amounts of the compound of formula A and /or B. A perfumery formulation containing compounds of general formula A and/or B.

  本发明实施例涉及一般公式A和一般公式B的分子，即取代的六氢-(5H)-1-苯并吡喃-5-酮（或六氢-(5H)-色苷-5-酮）衍生物和取代的四氢-(5H)-1-苯并吡喃-5-酮（或四氢-(5H)-色苷-5-酮）衍生物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10中的每个在氢、甲基、乙基、正丙基、异丙基、正丁基、异丁基、正戊基、异戊基或类似基团中独立选择。本专利包括合成一般公式A化合物和一般公式B化合物的方法，以及含有一定数量的一般公式A和/或B化合物的香水/化妆品组合物。含有一般公式A和/或B化合物的香水配方。
• [EN] ODORANTS AND COMPOSITIONS COMPRISING ODORANTS<br/>[FR] ODORISANTS ET COMPOSITIONS COMPRENANT DES ODORISANTS
  申请人：[en]S H KELKAR AND COMPANY LIMITED

  公开号：WO2022024054A1

  公开（公告）日：2022-02-03

  The present invention relates to substituted hexahydro-5H-chromen-5-one and/or substituted tetrahydrobenzofuran-4(2H)-one derivatives which are useful as fragrance or flavor materials.