5,6-dimethyl-2-heptanone | 2867-76-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,6-dimethyl-2-heptanone
• 英文别名: 5,6-dimethyl-heptan-2-one；(+/-)-5,6-dimethyl-heptan-2-one；(+/-)-5,6-Dimethyl-heptan-2-on；5,6-Dimethyl-heptan-2-on；Dihydrothujaketon；5,6-Dimethyl-2-heptanon；5,6-dimethylheptan-2-one
• CAS: 2867-76-7
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: WQCPCHUHFFYMFU-UHFFFAOYSA-N

物化性质

• 沸点：
  170.3±8.0 °C(Predicted)
• 密度：
  0.812±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  5,6-dimethyl-2-heptanone 在 乙醇 、 sodium 作用下， 生成 5,6-dimethyl-heptan-2-ol
  参考文献：
  名称：

  Wallach; Challenger, Justus Liebigs Annalen der Chemie, 1911, vol. 381, p. 83

  摘要：

  DOI：
• 作为产物：
  描述：

  5-isopropyl-hex-5-en-2-one 在 氢气 、 钯 作用下， 生成 5,6-dimethyl-2-heptanone
  参考文献：
  名称：

  Wallach, Justus Liebigs Annalen der Chemie, 1911, vol. 381, p. 69

  摘要：

  DOI：

文献信息

• FLAVOR AND FRAGRANCE FORMULATION (I)
  申请人：DSM IP ASSETS B.V.

  公开号：US20150307439A1

  公开（公告）日：2015-10-29

  The present invention relates to the use of specific organic compounds as flavor and fragrance material. Furthermore the invention relates to new specific organic compounds and their synthesis, as well to flavor and fragrance formulations comprising at least one of the specific organic compounds.

  本发明涉及特定有机化合物作为风味和香料材料的用途。此外，该发明涉及新的特定有机化合物及其合成，以及包含至少一种特定有机化合物的风味和香料配方。
• [EN] CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT<br/>[FR] INGRÉDIENTS CHIMIQUEMENT STABLES EN TANT QU'ODORISANT AU CITRON
  申请人：FIRMENICH & CIE

  公开号：WO2010044031A1

  公开（公告）日：2010-04-22

  The present invention concerns some nitrile derivatives of formula (I) wherein R represents a methyl or ethyl group; R6 represents a hydrogen atom or a methyl or ethyl group; R1 and R2, taken separately, represent each a hydrogen atom or a OR7 group, R7 being a hydrogen atom or a C1-2 alkyl or acyl group; or said R1 and R2, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; and - R3, R4 and R5 are each a hydrogen atom; or - a) R5 is a hydrogen atom and R3 and R4, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; or - b) R4 is a hydrogen atom and R3 and R5, taken together, represent an oxygen atom, a CH2 group or a carbon-carbon double bond; which are very useful as perfuming ingredients to confer lemon type odor notes.

  本发明涉及化学式（I）的一些腈衍生物，其中R代表甲基或乙基基团；R6代表氢原子或甲基或乙基基团；R1和R2，分别取代，每个代表氢原子或OR7基团，其中R7是氢原子或C1-2烷基或酰基基团；或者所述的R1和R2，取在一起，代表氧原子，CH2基团或碳-碳双键；以及-R3，R4和R5每个代表氢原子；或-a）R5是氢原子，而R3和R4在一起代表氧原子，CH2基团或碳-碳双键；或-b）R4是氢原子，而R3和R5在一起代表氧原子，CH2基团或碳-碳双键；它们非常有用作为香料成分，赋予柠檬型气味。
• Inhibitors of caspases
  申请人：Wannamaker Marion W.

  公开号：US20090048226A1

  公开（公告）日：2009-02-19

  The present invention relates to novel classes of compounds which are caspase inhibitors, in particular interleukin-1β converting enzyme (“ICE”) inhibitors. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting caspase activity and consequently, may be advantageously used as agents against interleukin-1-(“IL-1”), apoptosis-, interferon-γ inducing factor-(IGIF), or interferon-γ-(“IFN-γ”) mediated diseases, including inflammatory diseases, autoimmune diseases, destructive bone disorders, proliferative disorders, infectious diseases, and degenerative diseases. This invention also relates to methods for inhibiting caspase activity and decreasing IGIF production and IFN-γ production and methods for treating interleukin-1, apoptosis-, and interferon-γ-mediated diseases using the compounds and compositions of this invention. This invention also relates to methods of preparing the compounds of this invention.

  本发明涉及一类新型化合物，它们是caspase抑制剂，特别是白细胞介素-1β转化酶（“ICE”）抑制剂。本发明还涉及包含这些化合物的药物组合物。本发明的化合物和药物组合物特别适用于抑制caspase活性，并因此可以作为对白细胞介素-1（“IL-1”）、凋亡、干扰素-γ诱导因子（IGIF）或干扰素-γ（“IFN-γ”）介导的疾病，包括炎症性疾病、自身免疫性疾病、破坏性骨疾病、增生性疾病、传染性疾病和退行性疾病的药剂。本发明还涉及抑制caspase活性、减少IGIF生成和IFN-γ生成的方法以及使用本发明的化合物和组合物治疗白细胞介素-1、凋亡和干扰素-γ介导的疾病的方法。本发明还涉及制备本发明化合物的方法。
• CHEMICALLY STABLE INGREDIENTS AS LEMON ODORANT
  申请人：Fankhauser Peter

  公开号：US20120003170A1

  公开（公告）日：2012-01-05

  The present invention discloses certain nitrile compounds that are chemically stable and are useful as a lemon odorant or to impart a lemon odor to various consumer articles. The invention also relates to the compositions and articles that contain such compounds as well to the use of the compounds in a method of imparting a lemon odor to the compositions and articles.

  本发明揭示了某些具有化学稳定性的腈化合物，可用作柠檬香料或赋予各种消费品柠檬气味。本发明还涉及含有这些化合物的组合物和物品，以及在赋予组合物和物品柠檬气味的方法中使用这些化合物。
• Naves; Ardizio, Bulletin de la Societe Chimique de France, 1953, p. 296,299
  作者：Naves、Ardizio

  DOI：——

  日期：——