2-(5-hexenyl)cyclopentan-1-one | 42797-78-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(5-hexenyl)cyclopentan-1-one
• 英文别名: 2-(hex-5-en-1-yl)cyclopentan-1-one；2-Hex-5-enylcyclopentan-1-one
• CAS: 42797-78-4
• 化学式: C₁₁H₁₈O
• 分子量: 166.263
• InChiKey: BJZLNXPCIOQPFJ-UHFFFAOYSA-N

物化性质

• 沸点：
  240.2±9.0 °C(Predicted)
• 密度：
  0.904±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 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：

  2-(5-hexenyl)cyclopentan-1-one 在 lithium diisopropyl amide 作用下， 以 甲苯 为溶剂， 反应 21.5h， 生成 p-methoxybenzyl 3-(5'-hexenyl)-2-oxocyclopentanecarboxylate
  参考文献：
  名称：

  Inside-Outside Stereoisomerism. 6.+ Synthesis of trans-Bicyclo[4.4.1]undecan-11-one and the First Stereoselective Construction of the Tricyclic Nucleus of the Ring System of the Ingenane Diterpenes

  摘要：

  The intramolecular dioxenone photocycloaddition reaction provides access to compounds which in many cases cannot be otherwise prepared. The application of this methodology to the construction of trans-bicyclo[4.4.1]undecan-11-one, 16, which is ca. 10 kcal/mol more strained than the corresponding cis-bridged isomer, is described. The extension of this preliminary result to the first synthesis of the tricyclic ingenane nucleus with the requisite ''inside-outside'' or trans intrabridgehead stereochemical relationship is reported.

  DOI：

  10.1021/ja00089a006
• 作为产物：
  描述：

  (Hexin-5'-yl)-2-cyclopentanon-1 在 palladium on barium sulfate 氢气 作用下， 生成 2-(5-hexenyl)cyclopentan-1-one
  参考文献：
  名称：

  Mandville,G. et al., Bulletin de la Societe Chimique de France, 1973, p. 963 - 971

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS FOR PROVIDING A LONG-LASTING ODOR<br/>[FR] COMPOSÉS DESTINÉS À FOURNIR UNE ODEUR DE LONGUE DURÉE
  申请人：FIRMENICH & CIE

  公开号：WO2021209396A1

  公开（公告）日：2021-10-21

  The present invention relates to the field of perfumery. More particularly, it relates to compounds of formula (I) that are able to provide a long-lasting or substantive odor to the environment. Moreover, the present invention relates to a method of imparting a long-lasting odor to environment or to surfaces, such as hard surfaces, fabric, skin or hair. Furthermore, the present invention relates to the use of said compounds in perfumery, as well as the perfuming compositions or perfumed articles comprising the invention's compounds.

  本发明涉及香水领域。更具体地说，它涉及能够为环境提供持久或实质性气味的公式（I）化合物。此外，本发明涉及向环境或表面（如硬表面、织物、皮肤或头发）赋予持久气味的方法。此外，本发明涉及所述化合物在香水中的应用，以及包含本发明化合物的香水组合物或香氛制品。
• [EN] ENOL ETHER PROPERFUME<br/>[FR] PRO-PARFUM D'ÉTHER ÉNOLIQUE
  申请人：FIRMENICH & CIE

  公开号：WO2021250164A1

  公开（公告）日：2021-12-16

  The present invention relates to compounds of formula (I) as properfume compounds. In particular, the present invention relates to a method to release a compound being a carbonyl of formula (II), a formate ester of formula (III) and/or an alcohol of formula (IV), by exposing the compound of formula (I) to an environment wherein it is oxidized. Moreover, the present invention relates to a perfuming composition and a perfumed consumer product comprising at least one compound of formula (I).

  本发明涉及作为合适香精化合物的公式(I)的化合物。具体而言，本发明涉及一种释放公式(I)化合物的方法，该方法是通过将公式(I)化合物暴露在氧化环境中，释放出公式(II)的醛基、公式(III)的甲酸酯基和/或公式(IV)的醇基。此外，本发明涉及一种香精组合物和一种含有至少一种公式(I)化合物的香精消费产品。
• [EN] ALKYL ENOL ETHER PROPERFUME<br/>[FR] PRO-PARFUM D'ALKYLÉNOLÉTHER
  申请人：FIRMENICH & CIE

  公开号：WO2020127708A1

  公开（公告）日：2020-06-25

  The present invention relates to compounds of formula (I) as properfume compounds. In particular, the present invention relates to a method to release a compound being a ketone of formula (II), a formate ester of formula (III) and/or an alcohol of formula (IV) by exposing the compound of formula (I) to an environment wherein it is oxidized. Moreover, the present invention relates to a perfuming composition and a perfumed consumer product comprising at least one compound of formula (I).

  本发明涉及化合物的公式（I），作为合适的香料化合物。具体而言，本发明涉及一种方法，通过将公式（I）的化合物暴露于氧化环境中，释放出公式（II）的酮类化合物、公式（III）的甲酸酯类化合物和/或公式（IV）的醇类化合物。此外，本发明涉及一种调香组合物和一种含有至少一种公式（I）化合物的香水消费产品。
• [EN] ODORANT COMPOUND<br/>[FR] COMPOSÉ ODORANT
  申请人：FIRMENICH & CIE

  公开号：WO2021209393A1

  公开（公告）日：2021-10-21

  The present invention relates to the field of perfumery. More particularly, it concerns a compound of formula (I) as defined herein below, and its uses as perfuming ingredients. Therefore, following what is mentioned herein, the present invention comprises the invention compound as part of a perfuming composition or of a perfumed consumer product. Moreover, the present invention relates to a properfume compound suitable to release the compound of formula (I).

  本发明涉及香水领域。更具体地，涉及一种如下所定义的化合物(I)，以及其作为香料成分的用途。因此，根据本文所述，本发明包括将所述发明化合物作为香水成分或香水消费产品的一部分。此外，本发明涉及适合释放化合物(I)的前香化合物。
• [EN] CYCLOPENTANONE COMPOUNDS<br/>[FR] COMPOSÉS DE CYCLOPENTANONE
  申请人：FIRMENICH & CIE

  公开号：WO2020078892A1

  公开（公告）日：2020-04-23

  The present invention relates to the use as perfuming ingredients, e.g. to impart odor notes of the fruity, fruity-exotic types, of cyclopentanone compounds of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein n represents 1 or 2.

  本发明涉及将化合物(I)的环戊酮类化合物用作香料成分，例如用于赋予果香、果香-异国情调类型的气味音符，其中化合物(I)以其立体异构体或其混合物的形式存在，其中n代表1或2。