N-苄基-3-氰基苯甲酰胺 | 108618-96-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-苄基-3-氰基苯甲酰胺
• 英文名称: N-benzyl-3-cyanobenzamide
• 英文别名: 3-cyano-benzoic acid benzylamide；3-Cyan-benzoesaeure-benzylamid；3-Cyanobenzoesaeurebenzylamid
• CAS: 108618-96-8
• 化学式: C₁₅H₁₂N₂O
• mdl: MFCD07702554
• 分子量: 236.273
• InChiKey: UMNVKFMTCUWWLE-UHFFFAOYSA-N

物化性质

• 熔点：
  119 °C
• 沸点：
  459.6±38.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.066
• 拓扑面积：
  52.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-苄基-3-氰基苯甲酰胺 、 1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carbohydrazide 在 potassium carbonate 作用下， 以 正丁醇 为溶剂， 反应 2.0h， 以130 mg的产率得到N-benzyl-3-{5-[1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazol-3-yl}benzamide
  参考文献：
  名称：

  NOVEL HALOGEN-SUBSTITUTED COMPOUNDS

  摘要：

  该发明涉及一般式（I）的卤素取代化合物，其中A1-A4，T，W，Q，R1和Z1-Z3基团如描述中所定义。还描述了制备式（I）化合物的过程。该发明的化合物特别适用于农业中控制昆虫、蜘蛛和线虫，以及兽医学中的外寄生虫。

  公开号：

  US20170137413A1
• 作为产物：
  描述：

  3-氰基苯甲酰氯 在 sodium azide 、 环己烷 作用下， 生成 N-苄基-3-氰基苯甲酰胺
  参考文献：
  名称：

  Analysis of the characteristic sequence of intein and revision of its motifs

  摘要：

  Since the first intein (Sce VMA) was found in Saccharomydes cerevisiae ATPases gene in 1990, more and more inteins were identified. It is necessary to analyze the new inteins to understand the sequence charateristics of inteins. By searching protein and nucleic acid database systematically, 101 inteins mere found, of which 69 inteins contain homing endonuclease moths. We only analyze the 69 inteins since most inteins are the classic inteins with homing endonuclease motifs. We found that the distribution of these inteins is particular among species and protein. By multiple sequence alignment, some nem sequence characteristics were found and the motifs described previously were revised.

  DOI：

  10.1007/bf03187217

文献信息

• Photochemical Activation of Aromatic Aldehydes: Synthesis of Amides, Hydroxamic Acids and Esters
  作者：Nikolaos F. Nikitas、Mary K. Apostolopoulou、Elpida Skolia、Anna Tsoukaki、Christoforos G. Kokotos

  DOI：10.1002/chem.202100655

  日期：2021.5.20

  the activation of aromatic aldehydes has been developed. Utilizing thioxanthen-9-one as the photocatalyst and cheap household lamps as the light source, a variety of aromatic aldehydes have been activated and subsequently converted in a one-pot reaction into amides, hydroxamic acids and esters in good to high yields. The applicability of this method was highlighted in the synthesis of Moclobemide, a

  已经开发了用于芳族醛活化的便宜，容易且无金属的光化学方案。利用噻吨酮-9-one作为光催化剂，使用廉价的家用灯作为光源，已活化了多种芳香醛，然后通过一锅法将其转化为酰胺，异羟肟酸和酯，产率高至高。该方法的适用性在抗抑郁和社交焦虑药物莫氯贝胺的合成中得到了强调。为了确定该反应的合理机制，已经进行了详细的机理研究。
• An Efficient Synthesis of Amides and Esters via Triacyloxyboranes
  作者：Zhongping Huang、John Reilly、Ronald Buckle

  DOI：10.1055/s-2007-973890

  日期：2007.4

  is used to activate carboxylic acids to generate triacyloxyboranes. The triacyloxyboranes can be effectively reacted with various nucleophiles including alkylamines, arylamines, hydrazides, alcohols and phenols at reflux in toluene to provide the corresponding amides and esters in excellent yield. Aliphatic carboxylic acids are selectively esterified in the presence of aromatic carboxylic acids under

  硼烷-四氢呋喃络合物或硼烷-甲基-硫化物络合物用于活化羧酸以生成三酰氧基硼烷。三酰氧基硼烷可以与包括烷基胺、芳胺、酰肼、醇和酚在内的各种亲核试剂在甲苯中回流反应，以优异的收率提供相应的酰胺和酯。在芳族羧酸的存在下，在硼烷条件下，脂肪族羧酸被选择性地酯化。
• A useful acylation method using trichloroacetonitrile and triphenylphosphine for solid phase organic synthesis
  作者：István Vágó、István Greiner

  DOI：10.1016/s0040-4039(02)01241-8

  日期：2002.8

  A novel acylation procedure was developed for polymer supported synthesis, with in situ generated acyl chlorides using trichloroacetonitrile and triphenylphosphine.

  开发了一种新的酰化方法，用于聚合物支持的合成，使用三氯乙腈和三苯基膦原位生成的酰氯。
• Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides at Atmospheric Pressure: The Dual Role of Sodium Phenoxide
  作者：Joseph R. Martinelli、Thomas P. Clark、Donald A. Watson、Rachel H. Munday、Stephen L. Buchwald

  DOI：10.1002/anie.200702943

  日期：2007.11.12
• NEUE 3-[(PYRAZOL-5-YL)-HETEROARYL]-BENZAMID DERIVATE UND IHRE VERWENDUNG ALS SCHÄDLINGSBEKÄMPFUNGSMITTEL
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：EP3126353A1

  公开（公告）日：2017-02-08