(环己基甲基)吡嗪 | 28217-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: (环己基甲基)吡嗪
• 中文别名: 2-(3,4,5-三甲氧苯基)-1,3-噻吖己环-4-酮
• 英文名称: (cyclohexylmethyl)pyrazine
• 英文别名: 2-(cyclohexylmethyl)pyrazine；2-Cyclohexylmethylpyrazin
• CAS: 28217-92-7
• 化学式: C₁₁H₁₆N₂
• mdl: MFCD18449270
• 分子量: 176.261
• InChiKey: DGJZDAIWCSVZBI-UHFFFAOYSA-N

物化性质

• LogP：
  2.77
• 物理描述：
  pale amber liquid with a nutty, musty odour
• 溶解度：
  slightly soluble in water; soluble in oils
• 密度：
  1.003-1.009
• 折光率：
  1.515-1.520

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.636
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

制备方法与用途

毒性：GRAS(FEMA)。

使用限量：

• 焙烤制品、小吃食品：1.0 mg/kg
• 软糖、布丁、凝胶糖食制品、糖霜、果仁制品：0.5 mg/kg
• 代乳品：0.2 mg/kg

反应信息

• 作为产物：
  描述：

  (环己基甲基)溴化锌 、 2-碘吡嗪 在 copper(l) iodide 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以73%的产率得到(环己基甲基)吡嗪
  参考文献：
  名称：

  烷基，芳基和炔基锌试剂与杂芳基碘化物的无配体铜催化Negishi偶联

  摘要：

  本文报道的是烷基，芳基和炔基锌试剂与杂芳基碘化物之间空前的无配体铜催化交叉偶联。反应在室温下进行，以使伯，仲和叔烷基锌试剂与杂芳基碘化物偶合，而无需重排。芳基–杂芳基和炔基–杂芳基偶联需要高温（100°C）。

  DOI：

  10.1002/anie.201502379

文献信息

• 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。
• [EN] IMIDAZO[4,5-C]QUINOLIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CANCER<br/>[FR] COMPOSÉS IMIDAZO[4,5C]QUINOLINE-2-ONE ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：ASTRAZENECA AB

  公开号：WO2015170081A1

  公开（公告）日：2015-11-12

  The specification generally relates to compounds of Formula (I) and pharmaceutically acceptable salts thereof, where Q, R1, R2, R3, R4 and R5 have any of the meanings defined herein. The specification also relates to the use of such compounds and salts thereof to treat or prevent ATM kinase mediated disease, including cancer. The specification further relates to crystalline forms of compounds of imidazo[4,5- c]quinolin-2-one compounds and pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds and salts; kits comprising such compounds and salts; methods of manufacture of such compounds and salts; intermediates useful in the manufacture of such compounds and salts; and to methods of treating ATM kinase mediated disease, including cancer, using such compounds and salts.

  该规范通常涉及式(I)的化合物及其药用盐，其中Q、R1、R2、R3、R4和R5具有本规范中定义的任何含义。该规范还涉及使用这些化合物和其盐来治疗或预防ATM激酶介导的疾病，包括癌症。该规范还涉及咪唑并[4,5- c]喹啉-2-酮化合物的结晶形式及其药用盐；包含这些化合物和盐的药物组合物；包含这些化合物和盐的试剂盒；这些化合物和盐的制造方法；用于制造这些化合物和盐的中间体；以及使用这些化合物和盐治疗ATM激酶介导的疾病，包括癌症的方法。
• 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。
• Compounds useful as modulators of TRPM8
  申请人：Senomyx, Inc.

  公开号：US10392371B2

  公开（公告）日：2019-08-27

  Provided herein are compounds which are useful as cooling sensation compounds.

  本文提供的化合物可用作冷感化合物。
• Fragrance materials
  申请人：The Procter & Gamble Company

  公开号：US10952951B2

  公开（公告）日：2021-03-23

  The present application relates to perfume raw materials, perfumes, perfume delivery systems and consumer products comprising such perfume raw materials, perfumes and/or such perfume delivery systems, as well as processes for making and using such perfume raw materials, perfume delivery systems and consumer products. The perfumes disclosed herein expand the perfume communities' options.

  本申请涉及香水原料、香水、香水输送系统和包含此类香水原料、香水和/或此类香水输送系统的消费品，以及制造和使用此类香水原料、香水输送系统和消费品的工艺。本文公开的香水扩大了香水界的选择范围。