2-mercapto-4-heptanone | 1006684-15-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-mercapto-4-heptanone
• 英文别名: 2-Sulfanylheptan-4-one；2-sulfanylheptan-4-one
• CAS: 1006684-15-6
• 化学式: C₇H₁₄OS
• 分子量: 146.254
• InChiKey: GTFFILGNLLLNOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  18.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-hept-2-en-4-one 在 potassium fluoride 、 18-冠醚-6 、 2,6-二叔丁基-4-甲基苯酚 、 三苯基硅烷硫醇 作用下， 以 四氢呋喃 为溶剂， 生成 2-mercapto-4-heptanone
  参考文献：
  名称：

  红灯笼椒（辣椒）的同时蒸馏萃取提取物中的新的挥发性挥发性含硫成分。

  摘要：

  通过同时蒸馏-萃取（SDE，Likens-Nickerson）制备红甜椒（Capsicum annuum）的提取物。除了已知的（3 E）-3-庚-2-酮（1）外，不饱和C9-酮1-壬烯-4-酮（2），（2 E）-2-壬烯-4-酮（3）和（2 E，5 E）-2,5-nonadien-4-one（4），2-甲氧基-3-异丁基吡嗪（5）和庚烷-2-硫醇（6），我们确定了19新硫醇（脂族饱和和不饱和硫醇14-16和22-27，巯基酮12和13，巯基醇17、18和30，二硫醇19和28，甲硫醇20和21 ，以及噻吩-硫醇31）和两个新的二噻吩10和29。它们在结构上均与不饱和C7-和C9-酮1-4相关。使用Affi-Gel 501（对氨基苯酚）富集了游离硫醇-乙酸汞接枝在琼脂糖凝胶上）。

  DOI：

  10.1021/jf072493y

文献信息

• Antiperspirant and deodorant compositions
  申请人：The Procter & Gamble Company

  公开号：US10568825B2

  公开（公告）日：2020-02-25

  The present application relates to antiperspirant compositions comprising perfumes and sulfur-based perfume raw materials, and methods for making and using the antiperspirant compositions.

  本申请涉及包含香水和硫基香水原料的止汗剂组合物，以及制造和使用止汗剂组合物的方法。
• Distributions of the Stereoisomers of β-Mercaptoheptanones and β-Mercaptoheptanols in Cooked Bell Pepper (<i>Capsicum annuum</i>)
  作者：Svenja Nörenberg、Christiane Kiske、Andrea Burmann、Iulia Poplacean、Karl-Heinz Engel

  DOI：10.1021/acs.jafc.7b04336

  日期：2017.11.29

  2-Mercapto-4-heptanone, 4-mercapto-2-heptanone, and the corresponding mercaptoalcohols, previously identified in cooked red bell pepper (Capsicum annuum), were used as examples to determine the distributions of stereoisomers of naturally occurring polyfunctional thiols. The thiols were isolated using simultaneous distillation extraction and enriched by affinity chromatography. Enantioselective analysis was performed via multidimensional gas chromatography. For the studied cultivar California Wonder, the investigation of different batches of cooked red bell pepper revealed consistent ratios of the stereoisomers independent of origin and date of purchase. Quantitative estimations showed that the stereoisomers were present in cooked red bell peppers at concentrations in the range of 0.04-10.2 mu g/kg. Lower concentrations were observed in cooked green bell peppers. The change from green to red color was also accompanied by shifts in the proportions of stereoisomers in favor of the (S)-enantiomers of the mercaptoheptanones and of the (4S)-configured stereoisomers of 4-mercapto-2-heptanol.
• ANTIPERSPIRANT AND DEODORANT COMPOSITIONS
  申请人：The Procter & Gamble Company

  公开号：EP2931235A1

  公开（公告）日：2015-10-21
• Antiperspirant and Deodorant Compositions
  申请人：The Procter & Gamble Comapny

  公开号：US20140170102A1

  公开（公告）日：2014-06-19

  The present application relates to antiperspirant compositions comprising perfumes and sulfur-based perfume raw materials, and methods for making and using the antiperspirant compositions.
• [EN] ANTIPERSPIRANT AND DEODORANT COMPOSITIONS<br/>[FR] COMPOSITIONS ANTITRANSPIRANTES ET DÉODORANTES
  申请人：PROCTER & GAMBLE

  公开号：WO2014093748A1

  公开（公告）日：2014-06-19

  The present application relates to antiperspirant compositions comprising perfumes and sulfur-based perfume raw materials, and methods for making and using the antiperspirant compositions.