N-benzyl-N-hexylformamide

• 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-benzyl-N-hexylformamide
• 化学式: C₁₄H₂₁NO
• 分子量: 219.327
• InChiKey: FMEYSXJUKFIANR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  正己胺 、 二氧化碳 、 苯甲醛 在 苯硅烷 、 氯化(1-丁基-3-甲基咪唑) 作用下， 30.0 ℃ 、1.0 MPa 条件下， 反应 24.0h， 以80%的产率得到N-benzyl-N-hexylformamide
  参考文献：
  名称：

  室温下CO2，伯胺和醛的还原偶联：非对称N，N-双取代甲酰胺的通用方法

  摘要：

  我们提出了一种简单，无金属且通用的方法，该方法可在室温下由离子液体（1-丁基-3-甲基咪唑鎓氯化物）促进的CO 2，伯胺和醛合成不对称的N，N-二取代甲酰胺（NNFA）温度。这种方法具有广泛的胺和醛类特征，并且可以以良好或优异的收率获得各种不对称的NNFA。离子液体可以重复使用至少五次，而不会造成明显的活性损失。

  DOI：

  10.1002/chem.201701420

文献信息

• Cobalt-Catalyzed Synthesis of Unsymmetrically <i>N</i>,<i>N</i>-Disubstituted Formamides via Reductive Coupling of Primary Amines and Aldehydes with CO₂ and H₂
  作者：Zhengang Ke、Zhenzhen Yang、Zhenghui Liu、Bo Yu、Yanfei Zhao、Shien Guo、Yunyan Wu、Zhimin Liu

  DOI：10.1021/acs.orglett.8b02384

  日期：2018.11.2

  Herein, a novel route to synthesize unsymmetrically N,N-disubstituted formamides is reported, which is achieved via reductive coupling of primary amine and aldehyde with CO2/H2 over a cobalt-based catalytic system composed of CoF2, P(CH2CH2PPh2)3 and K2CO3. The mechanism investigation indicates that a secondary amine is formed via hydrogenation of the imine originated from aldehyde and primary amine

  本文中，报道了一种新颖的合成不对称的N，N-二取代甲酰胺的途径，该途径是通过在由CoF 2，P（CH 2）组成的钴基催化体系上伯胺和醛与CO 2 / H 2的还原偶联而实现的。CH 2 PPh 2）3和K 2 CO 3。机理研究表明，仲醛是通过醛和伯胺中亚胺的加氢反应生成的，它进一步与CO 2氢化生成的HCOOH反应，最终形成NNFA。
• BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita Takashi

  公开号：US20130165446A1

  公开（公告）日：2013-06-27

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明解决了寻找既具有PPAR激活活性又具有血管紧张素受体拮抗活性的化合物的问题。本发明是一种由通式（I）表示的苯并或吡啶-咪唑衍生物，其药学上可接受的盐，或其酯或酰胺（其中A是联苯甲基咪唑基，联苯甲基苯并咪唑基或类似物，B是二价苯并咪唑基或类似物，C是羧基或类似物，E是二价苯基，萘基或类似物，G是悬键，氧或类似物，Q是氧或硫，n是从1到6的整数，p是从1到6的整数，V是悬键，氧或类似物，R是氢，烷基或类似物）。
• BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE
  申请人：Fujita, Takashi

  公开号：EP2581373A1

  公开（公告）日：2013-04-17

  The present invention addresses the problem of finding a compound having both PPAR activation activity and angiotensin receptor antagonistic activity. The present invention is a benzo- or pyrido-imidazole derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, or a ester or amide thereof (where A is biphenyl methyl-imidazolyl, biphenyl methyl-benzimidazolyl, or the like, B is divalent benzimidazolyl or the like, C is carboxyl or the like, E is divalent phenyl, naphthyl, or the like, G is a dangling bond, oxygen, or the like, Q is oxygen or sulfur, n is an integer from 1 to 6, p is an integer from 1 to 6, V is a dangling bond, oxygen, or the like, and R is hydrogen, alkyl, or the like).

  本发明要解决的问题是找到一种既具有 PPAR 激活活性又具有血管紧张素受体拮抗活性的化合物。本发明是通式（I）代表的苯并咪唑或吡啶咪唑衍生物、其药学上可接受的盐或其酯或酰胺（其中 A 是联苯甲基咪唑基、联苯甲基苯并咪唑基或类似物，B 是二价苯并咪唑基或类似物、C 是羧基或类似物，E 是二价苯基、萘基或类似物，G 是悬键、氧或类似物，Q 是氧或硫，n 是 1 到 6 的整数，p 是 1 到 6 的整数，V 是悬键、氧或类似物，R 是氢、烷基或类似物）。
• Intramolecular and intermolecular Schmidt reactions of alkyl azides with aldehydes
  作者：Huey-Lih Lee、Jeffrey Aubé

  DOI：10.1016/j.tet.2007.05.079

  日期：2007.9

  Despite recent advances in the use of alkyl azides in ring expansion reactions of ketones, there has been little work done on the corresponding chemistry of aldehydes. In the present study, the Lewis acid-promoted reactions of alkyl azides with aldehydes were studied in both intermolecular and intramolecular contexts. The intramolecular reactions of azidoalkyl aldehydes in which the azide and carbonyl groups were separated by 2-5 carbons were examined. Although the examples having the shortest tether failed (3-azidopropanals), each of the other systems gave good yields of either NH-substituted lactams (resulting from hydride migration in the initially formed azidohydrin adduct) or formamides (alkyl migration). The product formed was dependent on the chain length of the starting azido aldehyde. The intermolecular reactions were less efficient, requiring TiCl4 promotion for even moderate yields, and in each case gave mixtures of products resulting from hydride and alkyl migration. (C) 2007 Elsevier Ltd. All rights reserved.