nectaryl | 1035968-04-7

• 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: nectaryl
• 英文别名: 2-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl]cyclopentan-1-one
• CAS: 1035968-04-7
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: KNHGOYVXAHUDHP-MOKVOYLWSA-N

物化性质

• 沸点：
  318.2±11.0 °C(Predicted)
• 密度：
  0.953±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  nectaryl 在 吡啶 、 4-二甲氨基吡啶 、 三氟化硼乙醚 、 L-Selectride 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 29.0h， 生成 [(1S,2S)-2-[(2R)-2-[(1R)-4-methyl-3-oxocyclohexyl]propyl]cyclopentyl] acetate
  参考文献：
  名称：

  具有位点选择性预测模型的催化剂控制的脂肪族 C-H 氧化

  摘要：

  选择性脂肪族 CH 键氧化可能对合成产生深远的影响，因为这些键存在于所有类别的有机分子中。该目标的核心是具有广泛底物范围（类小分子）的催化剂，其可预见地增强或推翻底物对氧化（类酶）的固有反应偏好。我们报告了一种简单的小分子非血红素铁催化剂，它在一系列拓扑不同的底物上以制备产率实现了可预测的催化剂控制的位点选择性。催化剂反应模型定量地将底物的固有物理性质与观察到的位点选择性相关联，作为催化剂的函数。

  DOI：

  10.1021/ja407388y
• 作为产物：
  描述：

  trimethyl(2-((RS)-2-((R)-4-methylcyclohex-3-enyl)propyl)cyclopent-1-enyloxy)silane 在 正丁基锂 、 三甲基氯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以79%的产率得到nectaryl
  参考文献：
  名称：

  Synthesis and olfactory evaluation of all stereoisomers of the fragrance Nectaryl®

  摘要：

  The fragrance Nectaryl (R) 1 was prepared by the radical addition of cyclopentanone to (+)-limonene. All the four stereoisomers of this fragrance were prepared by the enzymatic acetylation of the corresponding alcohols in good de. The absolute configurations have been unambiguously assigned by the chemical correlation and X-ray crystal structure of a dinitrobenzoate derivate. The olfactory evaluation is also reported. The odour perception is mainly related to the configuration at the stereocentre alpha to the carbonyl group. Chiral protonations of the lithium enolate or the enolester of 1 to give a diastereomeric enriched mixture of 1 are reported. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.03.011

文献信息

• [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。
• Catalyst-controlled aliphatic C—H oxidations
  申请人：The Board of Trustees of the University of Illinois

  公开号：US09925528B2

  公开（公告）日：2018-03-27

  The invention provides simple small molecule, non-heme iron catalyst systems with broad substrate scope that can predictably enhance or overturn a substrate's inherent reactivity preference for sp3-hybridized C—H bond oxidation. The invention also provides methods for selective aliphatic C—H bond oxidation. Furthermore, a structure-based catalyst reactivity model is disclosed that quantitatively correlates the innate physical properties of the substrate to the site-selectivities observed as a function of the catalyst. The catalyst systems can be used in combination with oxidants such as hydrogen peroxide to effect highly selective oxidations of unactivated sp3 C—H bonds over a broad range of substrates.

  该发明提供了一种简单的小分子、非血红素铁催化体系，具有广泛的底物范围，可以可预测地增强或颠覆底物对sp3杂化C-H键氧化的固有反应性偏好。该发明还提供了选择性脂肪族C-H键氧化的方法。此外，还披露了一种基于结构的催化剂反应性模型，该模型定量地相关底物的固有物理性质与作为催化剂功能的位选择性。这些催化体系可以与过氧化氢等氧化剂结合使用，对广泛的底物范围上的未活化的sp3 C-H键进行高度选择性的氧化。
• [EN] POLY(ESTER UREA) MICROCAPSULES<br/>[FR] MICROCAPSULES DE POLY(ESTER-URÉE)
  申请人：FIRMENICH & CIE

  公开号：WO2020234263A1

  公开（公告）日：2020-11-26

  The present invention relates to a new process for the preparation of poly(ester urea) microcapsules. Poly(ester urea) microcapsules are also an object of the invention. Perfuming compositions and consumer products comprising said microcapsules, in particular perfumed consumer products in the form of home care or personal care products, are also part of the invention.

  本发明涉及一种制备聚酯脲微胶囊的新工艺。聚酯脲微胶囊也是本发明的对象。含有该微胶囊的香料组合物和消费品，特别是家居护理或个人护理产品的香料消费品，也是本发明的一部分。
• PROCESS FOR PREPARING POLYSUCCINIMIDE DERIVATIVES-BASED MICROCAPSULES
  申请人：Firmenich SA

  公开号：US20210316266A1

  公开（公告）日：2021-10-14

  Described herein is a new process for the preparation of polysuccinimide derivatives-based core-shell microcapsules. Also described are microcapsules, as well as perfuming compositions and consumer products including these microcapsules, in particular perfumed consumer products in the form of home care or personal care products.

  本文介绍了一种新的制备基于聚丁二酸亚酰胺衍生物的核-壳微胶囊的过程。还介绍了微胶囊，以及包括这些微胶囊的香料组合物和消费品，特别是家居护理或个人护理产品的香料消费品。
• CATALYST-CONTROLLED ALIPHATIC C-H OXIDATIONS
  申请人：THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS

  公开号：US20160214097A1

  公开（公告）日：2016-07-28

  The invention provides simple small molecule, non-heme iron catalyst systems with broad substrate scope that can predictably enhance or overturn a Substrate Control Catalyst Control substrate's inherent reactivity preference for sp3-hybridized C—H bond oxidation. The invention also provides methods for selective aliphatic C—H bond oxidation. Furthermore, a structure-based catalyst reactivity model is disclosed that quantitatively correlates the innate physical properties of the substrate to the site-selectivities observed as a function of the catalyst. The catalyst systems can be used in combination with oxidants such as hydrogen peroxide to effect highly selective oxidations of unactivated sp3 C—H bonds over a broad range of substrates.

  本发明提供了简单的小分子、非血红素铁催化剂系统，具有广泛的底物范围，可以可预测地增强或颠覆基质控制催化剂控制底物对sp3杂化C-H键氧化的固有反应性偏好。本发明还提供了选择性脂肪族C-H键氧化的方法。此外，还公开了一种基于结构的催化剂反应性模型，该模型定量地将底物的固有物理性质与作为催化剂函数的位点选择性相互关联。这些催化剂系统可以与过氧化氢等氧化剂结合使用，对广泛的底物进行高度选择性的未活化的sp3 C-H键氧化。