2-butyl-3-hydroxyoctanal | 42397-28-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-butyl-3-hydroxyoctanal
• CAS: 42397-28-4
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: PLKKRIUTDBQNRB-UHFFFAOYSA-N

物化性质

• 沸点：
  138-141 °C(Press: 10 Torr)
• 密度：
  0.901±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-butyl-3-hydroxyoctanal 、 3-溴苯甲酸甲酯 在 palladium diacetate caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.5h， 以83%的产率得到methyl 3-(1-formylpentyl)benzoate
  参考文献：
  名称：

  醛与芳基溴化物和氯化物直接进行α-芳基化的一般方法。

  摘要：

  DOI：

  10.1002/anie.200703009
• 作为产物：
  描述：

  1-硝基己烷 在 titanium(III) chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2-butyl-3-hydroxyoctanal
  参考文献：
  名称：

  New method for the conversion of nitro groups into carbonyls

  摘要：

  DOI：

  10.1021/jo00965a004

文献信息

• Selective oxidation of primary hydroxy groups in prinary-secondary diols
  作者：Renata Siedlecka、Jacek Skarzewski、Jacek Młochowski

  DOI：10.1016/0040-4039(90)80102-r

  日期：1990.1

  The two-phase oxidation of primary-secondary diols with sodium hypochlorite, mediated by TEMPO, brings about selective oxidation at the primary position. Such 5 diols are oxidized to the corresponding hydroxyaldehydes.

  在TEMPO的介导下，次氯酸钠与次要二级二醇进行两相氧化，从而在主要位置上实现了选择性氧化。这样的5个二醇被氧化成相应的羟基醛。
• Remote reformatsky reaction: reaction of β-, γ-, and δ-zinc esters with aldehydes
  作者：Y. Tamaru、T. Nakamura、M. Sakaguchi、H. Ochiai、Z. Yoshida

  DOI：10.1039/c39880000610

  日期：——

  Ethyl β-, γ-, and δ-zinc esters react with aldehydes to provide ethyl γ-, δ-, and ε-hydroxy esters.

  乙基β-，γ-和δ-锌酯与醛反应生成乙基γ-，δ-和α-羟基酯。
• [EN] COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES<br/>[FR] COMPOSES DESTINES A LA LIBERATION CONTROLEE D'ALDEHYDES ACTIFS
  申请人：FIRMENICH & CIE

  公开号：WO2003082850A1

  公开（公告）日：2003-10-09

  The present invention relates to the field of perfumery. More particularly, it concerns an aldoxane derivative of Formula (I) capable of protecting an active aldehyde R1CHO, for example a perfumery or flavor aldehyde, from a chemically aggressive medium into which they have to be added, and then of releasing said active aldehyde at the desired moment. The present invention concerns also the use of said compound in perfumery or in the flavor industry as well as the compositions or articles associated with said aldoxanes.

  本发明涉及香料领域。更具体地，涉及一种具有式（I）的aldoxane衍生物，能够保护活性醛R1CHO，例如香料或风味醛，免受化学侵蚀性介质的影响，然后在所需时释放该活性醛。本发明还涉及在香料或风味行业中使用该化合物以及与该aldoxanes相关的组合物或物品。
• [EN] PRO-PERFUME COMPOSITIONS<br/>[FR] COMPOSITIONS DE PROPARFUM
  申请人：FIRMENICH & CIE

  公开号：WO2021123144A1

  公开（公告）日：2021-06-24

  The present invention relates to a perfuming composition comprising at least two properfume compounds selected from the group consisting of a pro-perfume compound releasing a perfume compound upon exposure to light, a pro-perfume compound releasing a perfume compound upon exposure to air/oxygen, a pro-perfume compound releasing a perfume compound upon exposure to heat, a pro-perfume compound releasing a perfume compound upon exposure to moisture and a pro-perfume compound releasing a perfume compound upon exposure to enzymes. The present invention further concerns a perfumed consumer product comprising the inventive perfuming composition, as well as the use of the inventive perfuming composition for improving, enhancing, conferring and/or modifying the fragrance impression and/or fragrance intensity of a consumer product.

  本发明涉及一种香水组合物，包括至少两种从以下组成的适当香气化合物中选择的香气化合物：一种在光照下释放香水化合物的前香水化合物，一种在空气/氧气暴露下释放香水化合物的前香水化合物，一种在热暴露下释放香水化合物的前香水化合物，一种在湿气暴露下释放香水化合物的前香水化合物以及一种在酶暴露下释放香水化合物的前香水化合物。本发明进一步涉及一种含有创新香水组合物的香水消费产品，以及使用创新香水组合物来改善、增强、赋予和/或修改消费产品的香气印象和/或香气强度。
• Compounds for the controlled release of active aldehydes
  申请人：Womack B. Gary

  公开号：US20050026998A1

  公开（公告）日：2005-02-03

  The present invention relates to the field of perfumery. More particularly, it concerns aldoxane compounds of formula which compounds are capable of protecting an active aldehyde R 1 CHO, for example, a perfumery or flavor aldehyde, from a chemically aggressive medium into which they have to be added, and then of releasing the active aldehyde at the desired moment. The present invention concerns also the use of such compounds in perfumery or in the flavor industry as well as the compositions or articles associated with these aldoxane compounds.

  本发明涉及香料领域，更具体地涉及公式的aldoxane化合物，这些化合物能够保护活性醛R1CHO（例如香料或风味醛）免受化学侵蚀性介质的影响，并在需要时释放活性醛。本发明还涉及在香料或风味工业中使用这些化合物，以及与这些aldoxane化合物相关的组合物或文章。