6-丙-2-基-4,4a,5,6,7,8-六氢-3H-萘-2-酮 | 34131-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-丙-2-基-4,4a,5,6,7,8-六氢-3H-萘-2-酮
• 英文名称: 6α-isopropyl-Δ^1,9-2-octalone
• 英文别名: 4,4a,5,6,7,8-hexahydro-6-isopropyl-2(3H)-naphthalenone；6-isopropyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one；2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-6-(1-methylethyl)-；6-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
• CAS: 34131-96-9
• 化学式: C₁₃H₂₀O
• mdl: MFCD09834411
• 分子量: 192.301
• InChiKey: XQKOWLJBFQBFMO-UHFFFAOYSA-N

物化性质

• 沸点：
  303.1±9.0 °C(Predicted)
• 密度：
  0.97±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.769
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914299000

反应信息

• 作为反应物：
  描述：

  6-丙-2-基-4,4a,5,6,7,8-六氢-3H-萘-2-酮 在 氨 、 lithium 作用下， 以91%的产率得到八氢化-6-(1-甲基乙基)-2(1H)萘酮
  参考文献：
  名称：

  Enolization of 2-decalones

  摘要：

  DOI：

  10.1021/jo00251a030

文献信息

• Precursors for fragrant ketones and fragrant aldehydes
  申请人：Givaudan SA

  公开号：EP1262473A1

  公开（公告）日：2002-12-04

  The present invention refers to fragrance precursors of formula I for a fragrant ketone of formula II and one or more fragrant aldehydes or ketones of formula III and IV, These fragrance precursors are useful in perfumery, especially in the fine and functional perfumery.

  本发明涉及公式I的香气前体，用于公式II的芳香酮和公式III和IV的一个或多个芳香醛或酮，这些香气前体在香水制造中特别有用，尤其是在精细和功能性香水中。
• [EN] A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY<br/>[FR] PROMÉDICAMENT COMPRENANT UN ACIDE BÊTA-CÉTO CARBOXYLIQUE, UN SEL D'ACIDE BÊTA-CÉTO CARBOXYLIQUE OU UN ESTER D'ACIDE BÊTA-CÉTO CARBOXYLIQUE POUR L'ADMINISTRATION DE MÉDICAMENT
  申请人：YKI YTKEMISKA INST AB

  公开号：WO2010120232A1

  公开（公告）日：2010-10-21

  There is provided a prodrug of a pharmaceutically active agent, said prodrug comprising a beta-keto carboxylic acid, a beta-keto carboxylic acid salt or a beta-keto carboxylic acid ester functional group, to a pharmaceutical composition comprising the prodrug, and to the use of the prodrug or composition for treatment of a mammalian subject suffering from a condition which can be cured or alleviated by administration of said pharmaceutically active agent. There is further provided a method of inhibiting decarboxylation of a compound comprising a beta-keto carboxylic acid or a salt thereof with a monovalent cation, characterized in that a dry salt of said beta-keto carboxylic acid with a divalent or polyvalent cation is prepared.

  提供了一种药用活性剂的前药，该前药包括β-酮羧酸、β-酮羧酸盐或β-酮羧酸酯官能团，以及包括该前药的药物组合物，以及将该前药或组合物用于治疗患有可以通过给药该药用活性剂来治愈或缓解的病症的哺乳动物主体的用途。还提供了一种抑制具有β-酮羧酸或其盐的化合物的脱羧作用的方法，其特征在于制备带有二价或多价阳离子的该β-酮羧酸的干盐。
• Cyclic Ketals As Fragrance Precursor Compounds
  申请人：Henkel AG & Co. KGaA

  公开号：US20190276469A1

  公开（公告）日：2019-09-12

  The invention is directed to the field of pro-fragrances used in detergents and cleaning agents, cosmetic agents and air fresheners, for example. The invention relates to particular cyclic ketals used as pro-fragrances. The invention also relates to detergents and cleaning agents, cosmetic agents and air fresheners containing ketals of the type. The invention further relates to a method for creating a long-lasting fragrance on surfaces and for repelling insects.

  本发明涉及用于洗涤剂和清洁剂、化妆品和空气清新剂等领域的前香料。本发明涉及特定的环状酮缩酸酯作为前香料。本发明还涉及含有该类型酮缩酸酯的洗涤剂和清洁剂、化妆品和空气清新剂。本发明还涉及在表面上制造长效香气和驱虫的方法。
• Beta, gamma-unsaturated delta-keto esters
  申请人：Givaudan Roure (International) S.A.

  公开号：EP0953562A1

  公开（公告）日：1999-11-03

  The beta,gamma-unsaturated delta-keto esters of formula I are useful as precursors for the delivery of organoleptic compounds, especially for flavours, fragrances and masking agents, and/or of antimicrobial compounds.

  公式I中的β，γ-不饱和δ-酮酸酯可用作有机感化合物的前体，尤其适用于香料、香料和掩蔽剂以及/或抗微生物化合物的传递。
• Compounds having protected hydroxy groups
  申请人：Givaudan SA, a Switzerland corporation

  公开号：US20020193269A1

  公开（公告）日：2002-12-19

  The present invention relates to compounds with protected hydroxy groups of formula (I) 1 These compounds are precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents. When activated, the compounds of formula (I) are cleaved and form one or more organoleptic and/or antimicrobial compounds.

  本发明涉及具有保护羟基的化合物，其化学式为(I)1。这些化合物是有机感官剂（如香料）和掩蔽剂以及抗微生物剂的前体。当激活时，化学式(I)的化合物被裂解并形成一个或多个有机感官和/或抗微生物化合物。