N-Cyclohexylmesitylcarbonsaeureamid | 157944-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-Cyclohexylmesitylcarbonsaeureamid
• 英文别名: N-cyclohexyl-2,4,6-trimethylphenylcarboxamide；2,4,6-trimethyl-benzoic acid cyclohexylamide；2,4,6-Trimethyl-benzoesaeure-cyclohexylamid；n-Cyclohexyl-2,4,6-trimethylbenzamide
• CAS: 157944-56-4
• 化学式: C₁₆H₂₃NO
• 分子量: 245.365
• InChiKey: ADTNTYMWAQMIOR-UHFFFAOYSA-N

物化性质

• 熔点：
  171-172 °C
• 沸点：
  353.8±41.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-Cyclohexylmesitylcarbonsaeureamid 在 2-氟吡啶 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.34h， 生成 4-cyclohexyl-3-(2,4,6-trimethylphenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazole
  参考文献：
  名称：

  通过将肼类化合物加到活化的仲酰胺上，一锅合成3,4,5-三取代的1,2,4-三唑

  摘要：

  已经开发了一种通用方法，用于通过三氟甲磺酸酐活化然后微波诱导的环脱水作用，从仲酰胺和酰肼一锅合成3,4,5-三取代的1,2,4-三唑。另外，1,2,4-三唑部分被证明是Ru催化的CH芳基化的有用的指导基团。使用Pd催化的分子内C–H官能化反应可以从反应产物中获得1,2,4-三唑并菲啶。

  DOI：

  10.1021/acs.orglett.5b00128
• 作为产物：
  描述：

  环己基异氰酸酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 水 作用下， 生成 N-Cyclohexylmesitylcarbonsaeureamid
  参考文献：
  名称：

  Zur chemie des dimesityleisens

  摘要：

  The reaction of [(Fe(Mes)(mu-MeS)}2] with the compounds Ph-NCO, Cy-NCO, 2-Naphth-NCO and Ph-NCS proceeds with insertion into all Fe-C-bonds. The structure of the compound [{Fe[mu-(Ph)NC(MeS)O]2)3](THF) is determined. After hydrolysis the corresponding amides are obtained. The products of hydrolysis of the reaction from [{Fe[0(2,6-tBu2-4-MeC6H2)][mu-MeS]}2] with Ph-NCO show that insertion takes place not only in the Fe-C but also in the Fe-0 bond.

  DOI：

  10.1016/0022-328x(94)80208-4

文献信息

• Novel flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof
  申请人：Tachdjian Catherine

  公开号：US20050084506A1

  公开（公告）日：2005-04-21

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers,—savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现，某些非天然存在的非肽酰胺化合物和酰胺衍生物，如草酰胺、脲和丙烯酰胺，可用作风味或口味调节剂，例如风味或调味剂和风味或口味增强剂，更具体地说，是用于食品、饮料和其他可食用或口服药品或组合物的风味或口味调节剂，包括鲜味（味精的“鲜味”）或甜味调节剂，鲜味或甜味调味剂以及鲜味或甜味增强剂。
• Synthesis of Secondary Amides from Thiocarbamates
  作者：Pieter Mampuys、Eelco Ruijter、Romano V. A. Orru、Bert U. W. Maes

  DOI：10.1021/acs.orglett.8b01654

  日期：2018.7.20

  The synthesis of secondary amides from readily accessible and bench-stable substituted S-phenyl thiocarbamates and Grignard reactants is reported. Oxidative workup allows recycling of the thiolate leaving group as diphenyl disulfide. Diphenyl disulfide can be transformed into S-phenyl benzenethiosulfonate, a reactant required for thiocarbamate synthesis. This amide synthesis is suitable for the preparation

  据报道，由易于获得且稳定的取代的S-苯基硫代氨基甲酸酯和格氏试剂可合成仲酰胺。氧化后处理使得硫醇盐离去基团以二苯基二硫化物形式再循环。可以将二苯基二硫化物转化为S-苯基苯硫代磺酸盐，这是硫代氨基甲酸酯合成所需的反应物。这种酰胺合成适合于制备经典方法无法或几乎无法获得的具有挑战性的酰胺。
• Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers
  申请人：Tachdjian Catherine

  公开号：US20060045953A1

  公开（公告）日：2006-03-02

  The inventions disclosed herein relate to non-naturally occurring amide compounds that are capable, when contacted with comestible food or drinks or pharmaceutical compositions at concentrations preferably on the order of about 100 ppm or lower, of serving as savory (“umami”) or sweet taste modifiers, savory or sweet flavoring agents and savory or sweet flavor enhancers, for use in foods, beverages, and other comestible or orally administered medicinal products or compositions, optionally in the presence of or in mixtures with conventional flavoring agents such as monosodium glutamate or known natural and artificial sweeteners.

  本发明涉及非自然存在的酰胺化合物，当与可食用食品或饮料或制药组成物以浓度优选为大约100 ppm或更低的浓度接触时，能够作为可口（"鲜味"）或甜味调节剂、可口或甜味调味剂和可口或甜味增强剂，在食品、饮料和其他可食用或口服药物或组成物中使用，可选地与常规调味剂如味精或已知的天然和人造甜味剂混合使用。
• NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF
  申请人：Tachdjian Catherine

  公开号：US20090111834A1

  公开（公告）日：2009-04-30

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers, —savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现某些非自然产生的、非肽酰胺化合物和酰胺衍生物，例如草酰胺、尿素和丙烯酰胺，是有用的风味或口感调节剂，例如风味或调味剂和风味或口感增强剂，更具体地，是咸味（单钠谷氨酸的“鲜味”）或甜味调节剂，咸味或甜味调味剂和咸味或甜味增强剂，用于食品、饮料和其他可食用或口服药物或组合物。
• Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof
  申请人：SENOMYX, INC.

  公开号：US10060909B2

  公开（公告）日：2018-08-28

  The present invention relates to the discovery that certain non-naturally occurring, non-peptide amide compounds and amide derivatives, such as oxalamides, ureas, and acrylamides, are useful flavor or taste modifiers, such as a flavoring or flavoring agents and flavor or taste enhancer, more particularly, savory (the “umami” taste of monosodium glutamate) or sweet taste modifiers,—savory or sweet flavoring agents and savory or sweet flavor enhancers, for food, beverages, and other comestible or orally administered medicinal products or compositions.

  本发明涉及发现某些非天然存在的非肽酰胺化合物和酰胺衍生物，例如草酰胺、脲和丙烯酰胺，是有用的风味或口味调节剂，例如香料或调味剂以及风味或口味增强剂、尤其是咸味（谷氨酸钠的 "鲜味"）或甜味调节剂--咸味或甜味调味剂和咸味或甜味增味剂，可用于食品、饮料和其他可食用或口服的医药产品或组合物。