3,5-二乙基-2-甲基-吡嗪 | 18138-05-1

• 物质功能分类: 医药中间体 - 吡嗪类化合物
• 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: 3,5-二乙基-2-甲基-吡嗪
• 英文名称: 3,5-diethyl-2-methyl-pyrazine
• 英文别名: 2,6-diethyl-3-methylpyrazine；2-methyl-3,5-diethylpyrazine；3,5-diethyl-2-methylpyrazine；2,6-Diaethyl-3-methylpyrazin；2,6-Diethyl-3-methyl-pyrazin；2-Methyl-3,5-diethyl-pyrazin
• CAS: 18138-05-1
• 化学式: C₉H₁₄N₂
• mdl: MFCD08457818
• 分子量: 150.224
• InChiKey: MRWLZECVHMHMGI-UHFFFAOYSA-N

物化性质

• 沸点：
  205.7±35.0 °C(Predicted)
• 密度：
  0.952±0.06 g/cm3(Predicted)
• LogP：
  2.16
• 物理描述：
  colourless to slightly yellow liquid with a nutty, meaty, vegetable odour
• 溶解度：
  slightly soluble in water; soluble in oils, organic solvents
• 折光率：
  1.492-1.502
• 保留指数：
  1138;1145;1135;1138;1133;1138;1137;1139;1152;1153;1133;1129.2;1136.3

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.555
• 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
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P210,P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338+P310,P332+P313,P370+P378,P403+P233,P403+P235,P405,P501
• 危险品运输编号：
  3334
• 危险性描述：
  H227,H315,H318,H335

制备方法与用途

毒性

该物质为GRAS（一般认为安全）成分（FEMA批准）。

使用限量

• 焙烤制品、早餐谷物、软糖：1～2 mg/kg
• 无醇饮料、冷饮、凝胶、布丁、肉制品：0.5～1 mg/kg
• 含醇饮料、汤品：0.1～0.5 mg/kg

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 1-羟基-2-丁酮 在 ammonium acetate 、 sodium acetate 作用下， 以 水 为溶剂， 生成 3,5-二乙基-2-甲基-吡嗪
  参考文献：
  名称：

  Effects of sulphur nutrition during potato cultivation on the formation of acrylamide and aroma compounds during cooking

  摘要：

  Lack of sulphur nutrition during potato cultivation has been shown to have profound effects on tuber composition, affecting in particular the concentrations of free asparagine, other amino acids and sugars. This is important because free asparagine and sugars react at high temperatures to form acrylamide, a suspect carcinogen. Free amino acids and sugars also form a variety of other compounds associated with colour and flavour. In this study the volatile aroma compounds formed in potato flour heated at 180 degrees C for 20 min were compared for three varieties of potato grown, with and without sulphur fertiliser. Approximately 50 compounds were quantified in the headspace extracts of the heated flour, of which over 40 were affected by sulphur fertilisation and/or variety. Many of the 41 compounds found at higher concentrations in the sulphur-deficient flour were Strecker aldehydes and compounds formed from their condensation, whereas only one compound, benzaldehyde, behaved in the same way as did acrylamide and was found at higher concentrations in the sulphur-sufficient flour. The reasons for these effects are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.foodchem.2010.03.049

文献信息

• Impact of the N-Terminal Amino Acid on the Formation of Pyrazines from Peptides in Maillard Model Systems
  作者：Fien Van Lancker、An Adams、Norbert De Kimpe

  DOI：10.1021/jf301315b

  日期：2012.5.9

  peptide C-terminal amino acid was investigated, this study focused on the influence of the peptide N-terminal amino acid on the production of pyrazines in model reactions of glucose, methylglyoxal, or glyoxal. Nine different dipeptides and three tripeptides were selected. It was shown that the structure of the N-terminal amino acid is determinative for the overall pyrazine production. Especially, the production

  文献中美拉德反应研究的一小部分集中在碳水化合物和肽之间的反应上。因此，在先前的研究中，其中该肽的影响的延续Ç端氨基酸进行了研究，该研究集中在肽的影响Ñ端氨基酸上生产的葡萄糖，甲基乙二醛的模型反应吡嗪类，或乙二醛。选择了九个不同的二肽和三个三肽。结果表明，N-末端氨基酸的结构决定了吡嗪的总产量。特别是在N上脯氨酸，缬氨酸或亮氨酸的情况下，2,5（6）-二甲基吡嗪和三甲基吡嗪的产量较低-末端，而对于甘氨酸，丙氨酸或丝氨酸则很高。与烷基取代的吡嗪相反，在用游离氨基酸进行实验的情况下，未取代的吡嗪总是产生更多。显然，对此观察结果必须负责不同的机制。这项研究清楚地说明了肽产生风味化合物（例如吡嗪）的能力。
• 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。
• 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。
• Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders
  申请人：Yamashita Hiroshi

  公开号：US20090264404A1

  公开（公告）日：2009-10-22

  A heterocyclic compound or a salt thereof represented by the formula (1): where R 2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or lower alkenylene group; and R 1 represents an aromatic group or a heterocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种杂环化合物或其盐，其化学式为（1）：其中R2代表氢原子或较低的烷基基团；A代表较低的烷基烯基基团；R1代表芳香族基团或杂环基团。本发明的化合物具有广泛的治疗精神障碍的谱，包括中枢神经系统障碍，无副作用且安全性高。
• DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS
  申请人：YAMASHITA Hiroshi

  公开号：US20120028920A1

  公开（公告）日：2012-02-02

  A heterocyclic compound or a salt thereof represented by the formula (1): where R 2 represents a hydrogen atom or a lower alkyl group; A represents a lower alkylene group or lower alkenylene group; and R 1 represents an aromatic group or a heterocyclic group. The compound of the present invention has a wide treatment spectrum for mental disorders including central nervous system disorders, no side effects and high safety.

  一种由式（1）所表示的杂环化合物或其盐：其中R2代表氢原子或较低的烷基基团；A代表较低的烷基烯基基团；R1代表芳香基团或杂环基团。本发明的化合物具有广泛的治疗精神障碍的光谱，包括中枢神经系统障碍，无副作用且安全性高。

表征谱图