2,6,6,7,8,8-hexamethyl-5,5a,6,7,8,8a-hexahydro-4H-3-thia-1-aza-as-indacene | 1404306-60-0

• 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
• 英文名称: 2,6,6,7,8,8-hexamethyl-5,5a,6,7,8,8a-hexahydro-4H-3-thia-1-aza-as-indacene
• 英文别名: 2,6,6,7,8,8-hexamethyl-5,5a,7,8a-tetrahydro-4H-cyclopenta[e][1,3]benzothiazole
• CAS: 1404306-60-0
• 化学式: C₁₆H₂₅NS
• 分子量: 263.447
• InChiKey: MRMUGJJKLJDDNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 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 以 二乙二醇二甲醚 为溶剂， 生成 2,6,6,7,8,8-hexamethyl-5,5a,6,7,8,8a-hexahydro-4H-3-thia-1-aza-as-indacene
  参考文献：
  名称：

  Novel pyrimidine derivatives and their use in perfume compositions

  摘要：

  公开号：

  EP2644688B1

文献信息

• 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。
• Novel quinazoline derivatives and their use in perfume compositions
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP2851415B1

  公开（公告）日：2016-04-27
• US8557876B2
  申请人：——

  公开号：US8557876B2

  公开（公告）日：2013-10-15
• Novel pyrimidine derivatives and their use in perfume compositions
  申请人：International Flavors & Fragrances Inc.

  公开号：EP2644688B1

  公开（公告）日：2017-11-08