2,5-Dihexyl-3,6-dimethylpyrazin | 10132-46-4

• 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: 2,5-Dihexyl-3,6-dimethylpyrazin
• 英文别名: 2,5-Dimethyl-3,6-dihexylpyrazin；2,5-dihexyl-3,6-dimethylpyrazine；2,5-Dimethyl-3,6-dihexyl-pyrazine
• CAS: 10132-46-4
• 化学式: C₁₈H₃₂N₂
• 分子量: 276.465
• InChiKey: UBPAZHYSJHMHIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,5-Dihexyl-3,6-dimethylpyrazin 在 manganese(IV) oxide 、 sodium methylate 、 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 甲醇 、 乙酸乙酯 为溶剂， 反应 46.75h， 生成 3,6-dihexylpyrazine-2,5-dicarbaldehyde
  参考文献：
  名称：

  Regioselective double Boekelheide reaction: first synthesis of 3,6-dialkylpyrazine-2,5-dicarboxaldehydes from dl-alanine

  摘要：

  Pyrazine-2,5-dicarboxaldehyde was synthesized on a multi-gram scale by MnO2 oxidation of 2,5-bis(hydroxymethyl)pyrazine, which in turn was obtained from 2,5-dimethylpyrazine employing double Boekelheide reaction as a key step as reported previously. This reaction was subsequently utilized in a regioselective fashion as a key step to synthesize efficiently, for the first time, 3,6-di(long-chain)alkylpyrazine-2,5-dicarboxaldehydes starting from DL-alanine. These monomers are certain to have importance as electron deficient and chemically versatile components for new materials development. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.057
• 作为产物：
  描述：

  benzyl (3-oxononan-2-yl)carbamate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以75%的产率得到2,5-Dihexyl-3,6-dimethylpyrazin
  参考文献：
  名称：

  Regioselective double Boekelheide reaction: first synthesis of 3,6-dialkylpyrazine-2,5-dicarboxaldehydes from dl-alanine

  摘要：

  Pyrazine-2,5-dicarboxaldehyde was synthesized on a multi-gram scale by MnO2 oxidation of 2,5-bis(hydroxymethyl)pyrazine, which in turn was obtained from 2,5-dimethylpyrazine employing double Boekelheide reaction as a key step as reported previously. This reaction was subsequently utilized in a regioselective fashion as a key step to synthesize efficiently, for the first time, 3,6-di(long-chain)alkylpyrazine-2,5-dicarboxaldehydes starting from DL-alanine. These monomers are certain to have importance as electron deficient and chemically versatile components for new materials development. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.057
• 作为试剂：
  描述：

  nonane-2,3-dione 3-oxime 、 2-壬酮 、 亚硝酰氯 、 异氰酸酯 在 锌 2,5-Dihexyl-3,6-dimethylpyrazin 作用下， 以 溶剂黄146 为溶剂， 以yielded 2,5-dimethyl-3,6-dihexyl-pyrazine which的产率得到2,5-Dihexyl-3,6-dimethylpyrazin
  参考文献：
  名称：

  Flavoring agents

  摘要：

  Furan硫化合物的化学式为##SPC1##，其中当n为0时，R.sub.1和R.sub.2为甲基；当n为1时，R.sub.1和R.sub.2为甲基或R.sub.1为氢，R.sub.2为5-甲基呋喃基；当n为2时，R.sub.1和R.sub.2为氢。这些化合物可用作食品和饮料的风味添加剂。

  公开号：

  US03931246A1

文献信息

• Flavoring agent
  申请人：Firmenich & Cie

  公开号：US03931245A1

  公开（公告）日：1976-01-06

  Furan Sulfur compounds of the formula ##SPC1## Wherein n is 1 and R is methyl, ethyl, propyl, 1-methyl-prop-1-en-1-yl, 2-methyl-prop-1-en-1-yl, furyl or hydrogen; and wherein n is 2 and R is methyl which are useful as flavor additives for foodstuffs and beverages.

  Furan硫化合物的化学式为 ##SPC1## 其中n为1，R为甲基，乙基，丙基，1-甲基丙烯-1-基，2-甲基丙烯-1-基，呋喃基或氢；n为2，R为甲基，它们可用作食品和饮料的风味添加剂。
• Furfurylthioacetone
  申请人：Firmenich & Cie

  公开号：US03952024A1

  公开（公告）日：1976-04-20

  The chemical compound furfurylthioacetone which is useful as a flavor additive for foodstuffs and beverages.

  化学化合物糠醛硫代丙酮，在食品和饮料中作为风味添加剂非常有用。
• 5-Methyl-furfuryl furfuryl ether
  申请人：Firmenich & Cie

  公开号：US03952026A1

  公开（公告）日：1976-04-20

  The compound 5-methyl-furfuryl furfuryl ether which is useful as a flavor additive for foodstuffs and beverages.

  这个化合物是5-甲基-呋喃基呋喃醚，可作为食品和饮料的味道添加剂。
• Certain 2,5-dimethyl-3-thiopyrazines
  申请人：Firmenich & Cie

  公开号：US03931166A1

  公开（公告）日：1976-01-06

  Disclosed are a group of chemical compounds which have been found to be useful in the area of flavor-note alteration.

  公开了一组在风味调整领域中发现有用的化学化合物。
• Pyrrylmethylthio flavoring agents
  申请人：Firmenich & Cie

  公开号：US03989713A1

  公开（公告）日：1976-11-02

  Pyrrole sulfur compounds of the formula ##SPC1## Wherein R is methyl, ethyl, acetyl or furfuryl which are useful as flavor additives for foodstuffs and beverages.

  该化合物的化学式为：##SPC1## 其中R可以是甲基、乙基、乙酰或呋喃基，用作食品和饮料的风味添加剂。