2,3-dimethyl-5-isopentylpyrazine | 18450-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,3-dimethyl-5-isopentylpyrazine
• 英文别名: 5-Isopentyl-2,3-dimethylpyrazine；2,3-dimethyl-5-(3-methylbutyl)pyrazine
• CAS: 18450-01-6
• 化学式: C₁₁H₁₈N₂
• mdl: MFCD08457807
• 分子量: 178.277
• InChiKey: OGUJUYCURMHXHG-UHFFFAOYSA-N

物化性质

• 沸点：
  244.8±35.0 °C(Predicted)
• 密度：
  0.932±0.06 g/cm3(Predicted)
• LogP：
  2.829 (est)
• 保留指数：
  1320.1;1317

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• 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

反应信息

• 作为产物：
  描述：

  2,3-二甲基-5-羟基吡嗪 在 吡啶 、 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 14.5h， 生成 2,3-dimethyl-5-isopentylpyrazine
  参考文献：
  名称：

  Regioselective Synthesis of Trialkylpyrazines via Nickel-Catalyzed Negishi Cross-Coupling of Pyrazine Triflate

  摘要：

  A regioselective synthesis of trialkylpyrazines via nickel-catalyzed cross-coupling reaction of pyrazine triflate is reported. The 5-substituted 2,3-dimethylpyrazine derivatives including trail pheromone components of the ant Eutetramorium mocquerysi have been successfully synthesized in good yields by nickel-catalyzed Negishi cross-coupling reactions of pyrazine triflate mediated by alkyl and arylzinc halides.

  DOI：

  10.1055/s-0031-1290972

文献信息

• Furfuryl propyl disulfide as a flavoring agent and methods for preparing and using same
  申请人：——

  公开号：US20020110628A1

  公开（公告）日：2002-08-15

  This invention pertains to a method for flavoring an ingestible composition with a flavoring agent, furfuryl propyl disulfide, in organoleptically purified form, unaccompanied by substances of natural origin present in cooked beef and onions. The flavoring agent may be used in a wide variety of ingestible vehicles to augment or enhance the aroma or taste of foodstuffs, particularly roasted nut, roasted meat, beef broth, black pepper, onion, fine herbs, omelet, and cooked onion omelet flavored foodstuffs. The present invention also pertains to an ingestible composition comprising an ingestible vehicle and an organoleptically effective amount of the purified flavoring agent. The present invention also pertains to furfuryl propyl disulfide represented by the formula, (2-Furan-CH 2 SSCH 2 CH 2 CH 3 ), in purified form, unaccompanied by substances of natural origin present in cooked beef and onions, and to methods for preparing furfuryl propyl disulfide.

  本发明涉及一种用味道剂味化可食用组合物的方法，所述味道剂为味觉上纯化的呋喃基丙基二硫化物，不含烹煮牛肉和洋葱时存在的天然物质。该味道剂可用于各种可食用载体中，以增强或提高食物的香气或口感，特别是烤坚果、烤肉、牛肉汤、黑胡椒、洋葱、香料、煎蛋和煮洋葱煎蛋调味食品。本发明还涉及一种包含可食用载体和纯化的味道剂的味道组合物。本发明还涉及用公式表示的呋喃基丙基二硫化物（2-呋喃-CH2SSCH2CH2CH3）的纯化形式，不含烹煮牛肉和洋葱时存在的天然物质，以及制备呋喃基丙基二硫化物的方法。
• 1-Ethoxy ethyl acetate and uses thereof for augmenting or enhancing the aroma or taste of consumable materials
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0048545A2

  公开（公告）日：1982-03-31

  Described for use in foodstuffs, chewing gums, toothpastes, medicinal products flavor and aromas, smoking tobacco flavor and aroma and perfume, cologne and perfumed article aroma augmenting, modifying, enhancing and imparting compositions and as foodstuffs, chewing gums, toothpastes, medicinal products, tobacco, perfume and perfumed article and cologne aroma imparting materials are mixtures of 1-ethoxy-1-ethanol acetate having the structure: (also hereinafter referred to as "E") and acetaldehyde (also hereinafter referred to as "A"), the range of weight ratios, E:A being from 50:50 down to 5:95.

  所述用于食品、口香糖、牙膏、药用产品风味和香气、烟草风味和香气以及香水、古龙水和香水制品香气增强、改良、提高和赋予的组合物，以及作为食品、口香糖、牙膏、药用产品、烟草、香水和香水制品以及古龙水香气赋予材料的具有以下结构的 1-乙氧基-1-乙醇醋酸酯（以下也称为 "E"）和乙醛（以下也称为 "A"）的混合物： (以下简称 "E"）和乙醛（以下简称 "A"）的混合物，E:A 的重量比范围从 50:50 到 5:95。
• Use of 1-ethoxyethyl acetate for augmenting or enhancing the aroma or taste of consumable materials
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0046072A2

  公开（公告）日：1982-02-17

  Described for use in foodstuffs, chewing gums, toothpastes, medicinal products flavor and aromas, smoking tobacco flavor and aroma and perfume, cologne and perfumed article aroma augmenting, modifying, enhancing and imparting compositions and as foodstuffs, chewing gums, toothpastes, medicinal products, tobacco, perfume and perfumed article and cologne aroma imparting materials is 1-ethoxy-1-ethanol acetate having the structure:

  所述用于食品、口香糖、牙膏、药用产品风味和香气、烟草风味和香气以及香水、古龙水和香水制品香气增强、改良、提高和赋予的组合物，以及作为食品、口香糖、牙膏、药用产品、烟草、香水和香水制品以及古龙水香气赋予材料的 1-乙氧基-1-乙醇醋酸酯具有以下结构：
• Norbornyl pyridine derivatives, their production and compositions comprising them
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0154844A1

  公开（公告）日：1985-09-18

  Described are norbornyl pyridine derivatives defined according to the generic structure: wherein R5, R5', R5", R5"' and R5"" each represents hydrogen or methyl with the proviso that at least four of R5, R5', R5". R5"' and Rs"" represent hydrogen; wherein the dashed line represents a carbon-carbon single bond or a carbon-carbon double bond and wherein the pyridinyl moiety is bonded to the norbornyl moiety at the 2' position of the norbornyl moiety and at either the 2 or the 4 position of the pyridinyl moiety as well as organoleptic uses thereof in augmenting or enhancing the aroma or taste of foodstuffs, chewing gums, toothpastes, chewing tobaccos, medicinal products, perfume compositions, colognes and perfumed articles including, but not limited to solid or liquid anionic, cationic, zwitterionic and nonionic detergents, cosmetic compositions, fabric softener compositions, fabric softener articles, hair preparations, and perfumed polymers. Also described are processes for preparing such compounds comprising reacting vinyl pyridines defined according to the structure: wherein one of R1 or R2 is hydrogen and the other of R1 or R2 is vinyl with a bicyclopentadiene derivative defined according to the structure: wherein R3, R3', R3", R3"' and R3"' each represents hydrogen or methyl with the proviso that at least four of R3, R3', R3", R3"' and R3"' represent hydrogen and wherein R4, R4', R4", R4"' and R4"' each represents hydrogen or methyl with at least four of R4, R4', R4", R4"' and R4"' representing hydrogen and then as desired hydrogenating the resulting product.

  所描述的是根据通用结构定义的降冰片基吡啶衍生物： 其中 R5、R5'、R5"、R5"'和 R5""各自代表氢或甲基，但 R5、R5'、R5"'和 R5""中至少有四个代表氢。R5"' 和 Rs"" 代表氢；其中虚线代表碳-碳单键或碳-碳双键，吡啶基在降冰片烷基的 2'位和吡啶基的 2 或 4 位上与降冰片烷基键合、口香糖、牙膏、嚼用烟草、医药产品、香水组合物、古龙水和加香物品，包括但不限于固体或液体阴离子、阳离子、齐聚离子和非离子洗涤剂、化妆品组合物、织物柔软剂组合物、织物柔软剂物品、头发制剂和加香聚合物。此外，还描述了制备此类化合物的工艺，包括使根据以下结构定义的乙烯基吡啶发生反应： 其中 R1 或 R2 中的一个是氢，R1 或 R2 中的另一个是乙烯基与根据结构定义的双环戊二烯衍生物反应： 其中 R3、R3'、R3"、R3"'和 R3"'各自代表氢或甲基，但 R3、R3'、R3"、R3"'和 R3"'中至少有四个代表氢；其中 R4、R4'、R4"、R4"'和 R4"'各自代表氢或甲基，但 R4、R4'、R4"、R4"'和 R4"'中至少有四个代表氢，然后根据需要将所得产物氢化。
• Tertiary pentamethylindanol derivatives and organoleptic uses thereof
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0154918A2

  公开（公告）日：1985-09-18

  Described are tertiary pentamethylindanol derivatives defined according to the structure: wherein the dashed line represents a carbon-carbon single bond or a carbon-carbon double bond and uses thereof in augmenting or enhancing the aroma or taste of consumable materials selected from the group consisting of perfume compositions, colognes, perfumed articles, foodstuffs, smoking tobaccos and smoking tobacco compositions.

  描述了根据以下结构定义的叔五甲基茚醇衍生物： 其中虚线代表碳碳单键或碳碳双键，以及其在增加或提高消费品的香气或味道方面的用途，消费品选自由香水组合物、古龙水、香水制品、食品、烟草和烟草组合物组成的组。

表征谱图