3-羟基-5-甲基-2-己酮 | 163038-04-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-羟基-5-甲基-2-己酮
• 英文名称: 3-hydroxy-5-methylhexan-2-one
• 英文别名: 3-Hydroxy-5-methyl-2-hexanone
• CAS: 163038-04-8
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: LZDPYURTPRCDJG-UHFFFAOYSA-N

物化性质

• LogP：
  0.98

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  3-羟基-5-甲基-2-己酮 、 2,4-二硝基苯肼 在 硫酸 作用下， 反应 0.08h， 生成 C₁₃H₁₈N₄O₅
  参考文献：
  名称：

  Revealing Substrate Promiscuity of 1-Deoxy-d-xylulose 5-Phosphate Synthase

  摘要：

  A study of DXP synthase has revealed flexibility in the acceptor substrate binding pocket for nonpolar substrates and has uncovered new details of the catalytic mechanism to show that pyruvate can act as both donor and acceptor substrate.

  DOI：

  10.1021/ol901961q
• 作为产物：
  描述：

  (5R*,6S*)-6-isobutyl-2,2,5-trimethyl-5-((triethylsilyl)peroxy)-1,3-dioxan-4-one 在 silica gel 作用下， 以 正己烷 、 乙酸乙酯 为溶剂， 反应 16.0h， 生成 3-羟基-5-甲基-2-己酮
  参考文献：
  名称：

  Baylis-Hillman加合物衍生物的非对映选择性过氧化。

  摘要：

  合成了拜利斯-希尔曼加合物的环状衍生物。这些环状内酯的钴催化过氧化反应提供的非对映异构体比例为91：9至97：3的过氧化甲硅烷基。

  DOI：

  10.1016/j.tet.2019.05.008

文献信息

• Preparation of pyrazines
  申请人：SOCIETE DES PRODUITS NESTLE S.A.

  公开号：EP1357193A1

  公开（公告）日：2003-10-29

  The present invention relates to a new process for the generation of pyrazines consisting in the bioconversion of hydroxyketones with 1,2-diaminopropane. New tetrahydropyrazine derivatives as well as new dihydropyrazine derivatives with high flavour and low threshold properties are disclosed. Such pyrazines compounds exhibiting roasted and earthy aroma profiles may be used in the food and bevererage industry, especially chocolate, confectionery and coffee.

  本发明涉及一种生成吡嗪类化合物的新工艺，该工艺包括通过1,2-二氨基丙烷对羟基酮的生物转化。公开了新的四氢吡嗪衍生物以及新的二氢吡嗪衍生物，这些衍生物具有浓郁的风味和低阈值特性。这些呈现烤制和泥土香味的吡嗪化合物可用于食品和饮料行业，特别是用于巧克力、糖果和咖啡。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• AMINOTHIAZOLES AND THEIR USES
  申请人：Bushell Simon

  公开号：US20140315790A1

  公开（公告）日：2014-10-23

  The present application describes organic compounds that are useful for the treatment, prevention and/or amelioration of diseases.

  本申请描述了对治疗、预防和/或改善疾病有用的有机化合物。
• [EN] PREPARATIONS CONTAINING PYRIDOXINE AND ALPHA-HYDROXYISOCAPROIC ACID (HICA)<br/>[FR] PRÉPARATIONS CONTENANT UNE PYRIDOXINE ET UN ACIDE ALPHA-HYDROXYIOSCAPROÏQUE (HICA)
  申请人：IOVATE T & P INC

  公开号：WO2009073943A1

  公开（公告）日：2009-06-18

  The present invention relates to stable salts of pyridoxine and α-hydroxyisocaproic acid (HICA) endowed with enhanced nutritional and/or therapeutical efficacy in respect to their individual effects and to solid compositions containing such salts, particularly suited to oral administration. A method of preparation is also provided.

  本发明涉及稳定的吡ridoxine和α-羟基异戊酸（HICA）盐，具有增强的营养和/或治疗功效，相对于它们各自的效果，以及含有这种盐的固体组合物，特别适用于口服。同时提供了一种制备方法。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。