N-benzyl-N-butylformamide | 140670-05-9

• 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-butylformamide
• CAS: 140670-05-9
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: AYEHCFLFAGAOME-UHFFFAOYSA-N

物化性质

• 沸点：
  343.5±21.0 °C(Predicted)
• 密度：
  0.991±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  tert-butyl((1-methoxy-2-methylprop-1-en-1-yl)oxy)dimethylsilane 、 N-benzyl-N-butylformamide 在 2,6-二叔丁基-4-甲基吡啶 、 sodium cyanoborohydride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 36.03h， 生成 methyl 3-(benzyl(butyl)amino)-2,2-dimethylpropanoate
  参考文献：
  名称：

  Preparation of Conformationally Restricted β^2,2- and β^2,2,3-Amino Esters and Derivatives Containing an All-Carbon Quaternary Center

  摘要：

  β-Amino acids are routinely incorporated into peptidic drugs to increase their stability and to incur conformational biases. However, the synthesis of highly substituted β-amino acids still represents a great challenge. A new approach to their preparation is reported involving a Vilsmeier-Haack reaction with nonaromatic carbon nucleophiles. The highly challenging preparation of contiguous tertiary and all-carbon quaternary centers was successfully used to generate several β(2,2,3)-amino esters, such as derivatives of homoproline, homoalanine, and homopipecolinic esters.

  DOI：

  10.1021/ol503432b
• 作为产物：
  描述：

  N-n-butyl-N-benzyl-1-methylcyclohexa-2,5-diene-1-carboxamide 在 二叔丁基过氧化物 作用下， 以 various solvent(s) 为溶剂， 生成 N-benzyl-N-butylformamide
  参考文献：
  名称：

  Bella, A. Franco; Jackson, Leon V.; Walton, John C., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2002, # 11, p. 1839 - 1843

  摘要：

  DOI：

文献信息

• Palladium-Catalyzed Solvent-Dependent Divergent Synthesis of Benzylformamides
  作者：Fu-Peng Wu、Jin-Bao Peng、Xinxin Qi、Jun Ying、Xiao-Feng Wu

  DOI：10.1002/adsc.201800674

  日期：2018.9.3

  A palladium‐catalyzed carbonylative cascade procedure for the synthesis of benzylformamides from aryl halides has been developed. The properties of the solvent chosen play a decisive role on the selectivity of the outcomes. Non‐coordinative solvent facilitates the coordination and insertion of CO to the amino‐palladium intermediate which then provides the formamides products. While the use of coordinative

  已经开发了一种钯催化的羰基级联方法，用于从芳基卤化物合成苄基甲酰胺。选择的溶剂的性质对结果的选择性起决定性作用。非配位溶剂有助于将CO配位并插入到氨基钯中间体中，然后再提供甲酰胺产品。同时使用配位溶剂会导致胺的形成。在我们的条件下，对包括酯，酮，硝基和氰基在内的一系列官能团具有很好的耐受性。相应的苄基甲酰胺产物以中等至良好的收率制备，无需进一步优化。
• Solvent-promoted catalyst-free N-formylation of amines using carbon dioxide under ambient conditions
  作者：Hui Lv、Qi Xing、Chengtao Yue、Ziqiang Lei、Fuwei Li

  DOI：10.1039/c6cc01234e

  日期：——

  An unprecedented catalyst-free formylation of amines with CO2 and hydrosilanes was developed. Solvent plays a vital role in promoting the interaction of amines with hydrosilanes and subsequent CO2 insertion, thus...

  开发了前所未有的胺与二氧化碳和氢化硅烷的无催化剂甲酰化方法。溶剂在促进胺与氢硅烷的相互作用以及随后的CO2插入中起着至关重要的作用，因此...
• 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）。
• Electrochemically enabled decyanative C(sp³)–H oxygenation of <i>N</i>-cyanomethylamines to formamides
  作者：Mu-Jia Luo、Wei Zhou、Ruchun Yang、Haixin Ding、Xian-Rong Song、Qiang Xiao

  DOI：10.1039/d3ob00313b

  日期：——

  Selective oxygenation of C(sp3)–H bonds adjacent to nitrogen atoms is a highly attractive strategy for synthesizing various formamide derivatives while preserving the substrate skeletons. Herein, an environmentally benign electrochemically enabled decyanative C(sp3)–H oxygenation of N-cyanomethylamines using H2O as a carbonyl oxygen atom source is described, leading to the synthesis of a large class

  与氮原子相邻的C(sp 3 )–H 键的选择性氧化是合成各种甲酰胺衍生物同时保留底物骨架的极具吸引力的策略。在此，描述了使用 H 2 O 作为羰基氧原子源对N-氰基甲胺进行环境友好的电化学脱氰 C(sp 3 )–H 氧化反应，从而以良好至优异的收率合成了一大类甲酰胺，具有在无金属和无氧化剂的条件下具有广泛的底物范围。这种电化学技术突出了将N-甲酰基轻松结合到一些重要的生物活性分子中。
• Reninhemmende Aminosäurederivate
  申请人：MERCK PATENT GmbH

  公开号：EP0249096A2

  公开（公告）日：1987-12-16

  Neue Aminosäurederivate der Formel I X-(NR¹-HR²-CO)k-Z-(CH₂)m-CO-NR³-CHR⁴-CR⁵-(CHR⁶)n-­CO-E-Q-Y worin X, Z, E, Q, Y, R¹, R², R³, R⁴, R⁵, R⁶, k, m und n die in Patentanspruch 1 angegebene Bedeutung haben, sowie ihre Salze hemmen die Aktivität des menschlichen Plasmarenins.

  式 I 的新氨基酸衍生物 X-(NR¹-HR²-CO)k-Z-(CH₂)m-CO-NR³-CHR⁴-CR⁵-(CHR⁶)n-CO-E-Q-Y 其中 X、Z、E、Q、Y、R¹、R²、R³、R⁴、R⁵、R⁶、k、m 和 n 具有权利要求 1 所述的含义、 及其盐类可抑制人血浆肾素的活性。