1,1,2,3,3-五甲基八氢-4H-茚-4-酮 | 195379-87-4

• 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
• 中文名称: 1,1,2,3,3-五甲基八氢-4H-茚-4-酮
• 英文名称: 7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one
• 英文别名: 7,7,8,9,9-pentamethylbicyclo[4.3.0]nonan-2-one；1,1,2,3,3-pentamethylperhydroindan-4-one；dihydrocashmeran；1,1,2,3,3-pentamethyl-tetrahydro-4(3A)-indanone；4H-Inden-4-one, octahydro-1,1,2,3,3-pentamethyl-；1,1,2,3,3-pentamethyl-2,3a,5,6,7,7a-hexahydroinden-4-one
• CAS: 195379-87-4
• 化学式: C₁₄H₂₄O
• 分子量: 208.344
• InChiKey: GPGLSHGISNBHNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  1,1,2,3,3-五甲基八氢-4H-茚-4-酮 在 Pd(DMSO)2(trifluoroacetate)2 、 氧气 、 溶剂黄146 作用下， 100.0 ℃ 、101.33 kPa 条件下， 以70%的产率得到1,2,3,5,6,7-六氢-1,1,2,3,3-五甲基-4H-茚-4-酮
  参考文献：
  名称：

  CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS

  摘要：

  通过脱氢饱和化合物和/或芳香化合物氢化的方法制备不饱和化合物或类似物已被披露。

  公开号：

  US20170362155A1
• 作为产物：
  描述：

  1,2,3,5,6,7-六氢-1,1,2,3,3-五甲基-4H-茚-4-酮 在 氢气 作用下， 生成 1,1,2,3,3-五甲基八氢-4H-茚-4-酮
  参考文献：
  名称：

  Novel Quinazoline Compounds and Their Use in Perfume Compositions

  摘要：

  本发明涉及新型喹唑啉化合物及其在香水组合物中的应用。本发明的新型喹唑啉化合物由以下公式表示：其中，断裂线代表单键或双键的异构体或混合物。

  公开号：

  US20120207697A1

文献信息

• Hexahydroindan acetal and ketal compounds and their use in perfume compositions
  申请人：International Flavors & Fragrances Inc.

  公开号：US07176324B1

  公开（公告）日：2007-02-13

  The present invention relates to hexahydroindan acetal and ketal compounds and their use as fragrance chemicals suitable for incorporation in fine fragrances, cosmetics, toiletries and related applications.

  本发明涉及六氢茚缩醛和缩酮化合物，以及它们作为适合用于精致香水、化妆品、洗涤用品及相关应用的香料化学品的用途。
• Polyalkylbicyclic derivatives
  申请人：——

  公开号：US20040110991A1

  公开（公告）日：2004-06-10

  Described are polyalkylbicylic chemical derivatives for use a fragrance ingredients having the generic structure: 1 wherein m=0 or 1; wherein X is methyl or hydrogen; wherein R 1 , R 2 , R 3 and R 4 each represents methyl or ethyl with the proviso that when X is methyl, each of R 1 , R 2 , R 3 and R 4 is methyl and when X is hydrogen, one of R 1 , R 2 , R 3 and R 4 is ethyl; and wherein R 6 represents hydrogen or methyl. Methods for using and making these compounds are also disclosed.

  介绍了用作香料成分的聚烷基双环化学衍生物，其具有通用结构：1其中m＝0或1；其中X为甲基或氢；其中R1、R2、R3和R4分别表示甲基或乙基，但当X为甲基时，R1、R2、R3和R4中的每一个都是甲基，当X为氢时，其中一个是乙基；其中R6表示氢或甲基。还公开了使用和制备这些化合物的方法。
• Polyalkylbicylic derivatives
  申请人：——

  公开号：US20030004090A1

  公开（公告）日：2003-01-02

  The compound according to the formula set forth below 1 where A is 2 B is 3 or A and B together form the ring structure 4 and X, R′ and R are independently H and CH 3 and m=0 or 1. and the use of the compound in creating fragrances, and scents in items such as perfumes, colognes and personal care products is disclosed.

  根据以下公式，化合物为：A为2，B为3，或A和B共同形成环状结构4，X、R'和R是独立的H和CH3，m=0或1。本发明还揭示了在创造香料、香气方面使用该化合物，如香水、古龙水和个人护理产品中。
• NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN PERFUME COMPOSITIONS
  申请人：Belko Robert P.

  公开号：US20120277325A1

  公开（公告）日：2012-11-01

  The present invention relates to novel pyrimidine derivatives and their use in perfume compositions. The novel pyrimidine derivatives of the present invention are represented by the following formula: wherein m and n are integers that when m is 0, n is 1; when m is 1, n is 0 or 1; or when m is 2, n is 0; wherein (CH) m and (CH) n are each independently optionally substituted with a substituent selected from the group consisting of methyl and ethyl; wherein X is selected from the group consisting of N, O, and S; and wherein R 1 and R 2 each independently represent H or a hydrocarbon group, or R 1 and R 2 together represent a fused ring or a ring system, with the proviso that when R 1 is H, R 2 is not H.

  本发明涉及新型嘧啶衍生物及其在香料组合物中的使用。本发明的新型嘧啶衍生物由以下公式表示：其中m和n是整数，当m为0时，n为1；当m为1时，n为0或1；或当m为2时，n为0；其中(CH)m和(CH)n各自独立地可选地被取代为甲基和乙基中的一种取代基；其中X从N、O和S中选择；其中R1和R2各自独立地表示H或一个碳氢基团，或者R1和R2一起表示一个融合环或一个环系统，但当R1为H时，R2不为H。
• Pyrimidine derivatives and their use in perfume compositions
  申请人：Belko Robert P.

  公开号：US08557876B2

  公开（公告）日：2013-10-15

  The present invention relates to novel pyrimidine derivatives and their use in perfume compositions. The novel pyrimidine derivatives of the present invention are represented by the following formula: wherein m and n are integers that when m is 0, n is 1; when m is 1, n is 0 or 1; or when m is 2, n is 0; wherein (CH)m and (CH)n are each independently optionally substituted with a substituent selected from the group consisting of methyl and ethyl; wherein X is selected from the group consisting of N, O, and S; and wherein R1 and R2 each independently represent H or a hydrocarbon group, or R1 and R2 together represent a fused ring or a ring system, with the proviso that when R1 is H, R2 is not H.

  本发明涉及新型嘧啶衍生物及其在香料组合物中的使用。本发明的新型嘧啶衍生物由以下公式表示：其中m和n是整数，当m为0时，n为1；当m为1时，n为0或1；或当m为2时，n为0；其中(CH)m和(CH)n各自独立地可选地被取代为从甲基和乙基组成的群体中选择的取代基；其中X从N、O和S中选择；且其中R1和R2各自独立地代表氢或一个碳氢基团，或者R1和R2一起代表一个融合环或一个环系统，但当R1为氢时，R2不为氢。