2-(4-cyanophenyl)acetamide | 117753-06-7

• 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: 2-(4-cyanophenyl)acetamide
• 英文别名: (4-cyanophenyl)acetamide；(4-cyano-phenyl)-acetic acid amide；Homoterephthalsaeure-amid-(4)-nitril-(1)；(4-Cyan-phenyl)-essigsaeure-amid；p-Cyan-phenacetamid
• CAS: 117753-06-7
• 化学式: C₉H₈N₂O
• mdl: MFCD18265396
• 分子量: 160.175
• InChiKey: NRNFOCWICHLLEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  408.9±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)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-cyanophenyl)acetamide 在 aluminum nickel O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 作用下， 以 甲醇 、 氢气 为溶剂， 生成 (R,S)-N-[[4-(Aminocarbonylmethyl)phenyl]methyl]-3-[4-(aminoiminomethyl)phenyl]-N2-(diphenylacetyl)-alaninamide
  参考文献：
  名称：

  Amino acid derivatives, pharmaceutical compositions containing these

  摘要：

  以下是NPY-拮抗性化合物的化学式及其示例的中文翻译： (A) (R)-N-[[4-(氨基甲酰氨基甲基)苯基]甲基]-N²-双(4-羟基苯基)乙酰基]-精氨酰胺-三氟乙酸盐； (B) (R)-N-[[4-(氨基甲酰氨基甲基)苯基]甲基]-N²-[双(4-氯苯基)乙酰基]-精氨酰胺-三氟乙酸盐； (C) (R)-N-[[4-氨基甲酰氨基甲基)苯基]甲基]-N²-(二苯基乙酰基)-精氨酰胺-三氟乙酸盐； (D) (R)-N²-(二苯基乙酰基)-N-[[4-(乙氧羰基甲基氨基-甲酰氨基甲基)苯基]甲基]-精氨酰胺-三氟乙酸盐； (E) (R,S)-N⁵-(氨基亚氨基甲基)-N²-(二苯基乙酰基)-N-[(4-羟基苯基)甲基]-N⁵-甲基-鸟氨酸酰胺-盐酸盐； (F) (R)-N-[[4-(氨基甲酰甲基)苯基]甲基]-N²-(二苯基-乙酰基)-精氨酰胺-二乙酸盐； (G) (R)-N²-(二苯基乙酰基)-N-[[4-(乙基氨基甲酰氨基甲基)-苯基]甲基]-精氨酰胺-双-(三氟乙酸盐)； (H) (R)-N²-(二苯基乙酰基)-N-[[4-(乙氧羰基氨基-甲酰氨基甲基)苯基]甲基]-精氨酰胺-三氟乙酸盐。

  公开号：

  US06114390A1
• 作为产物：
  描述：

  对氰基氯苄 在 盐酸 、 乙醇 作用下， 生成 2-(4-cyanophenyl)acetamide
  参考文献：
  名称：

  Mellinghoff, Chemische Berichte, 1889, vol. 22, p. 3208

  摘要：

  DOI：

文献信息

• Cyanoamidine P2X7 antagonists for the treatment of pain
  申请人：Carroll A. William

  公开号：US20060025614A1

  公开（公告）日：2006-02-02

  Novel cyanoamidines compounds of formula (I) and (II) and their derivatives wherein R 1 -R 12 are as defined in the specification act as antagonists of the P2X 7 receptor. These compounds are particularly useful in the treatment of pain, inflammation and neurodegeneration states.

  新型氰胺基化合物的化学式(I)和(II)及其衍生物，其中R1-R12如规范中定义的作为P2X7受体的拮抗剂。这些化合物在治疗疼痛、炎症和神经退行性状态方面特别有用。
• [EN] PYRROLO[2,3-D]PYRIMIDINE TROPOMYOSIN-RELATED KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE ASSOCIÉE À LA TROPOMYOSINE PYRROLO[2,3-D]PYRIMIDINE
  申请人：PFIZER LTD

  公开号：WO2014053967A1

  公开（公告）日：2014-04-10

  The present invention relates to compounds of Formula (I) and their pharmaceutically acceptable salts, wherein the substituents are as described herein, and their use in medicine, in particular as Trk antagonists.

  本发明涉及式(I)化合物及其药用可接受的盐，其中取代基如本文所述，并且它们在医学上的用途，特别是作为Trk拮抗剂。
• Graphene-Supported NiPd Alloy Nanoparticles for Effective Catalysis of Tandem Dehydrogenation of Ammonia Borane and Hydrogenation of Nitro/Nitrile Compounds
  申请人：BROWN UNIVERSITY

  公开号：US20160279619A1

  公开（公告）日：2016-09-29

  Monodisperse NiPd alloy nanoparticles (NPs) are synthesized and assembled on graphene (G) or other support to provide clean, efficient catalysis of tandem reactions—dehydrogenation of ammonia borane (AB) and hydrogenation of R—NO 2 and/or R—CN to R—NH 2 . The tandem reactions proceed quickly and with high efficiency in aqueous methanol solutions at room temperature, and the supported catalyst is readily recovered for re-use, providing a simple, efficient and ‘green’ route to the preparation of many common pharmaceutical, dye or other chemical products. NiPd alloy NPs of 3.4 nanometer size were prepared by co-reduction of nickel(II) acetate and palladium(II) acetlyacetonate by borane-tert-butylamine in oleylamine and deposited on G via a solution phase self-assembly process. The G-NiPd showed composition-dependent catalysis on the tandem reaction with G-Ni 30 Pd 70 being the most active. A variety of R—NO 2 and/or R—CN derivatives (R alkyl or aryl) were reduced selectively into R—NH 2 via G-Ni 30 Pd 70 catalyzed tandem reaction in short (5-30 minute) reaction times with conversion yields reaching up to 100%, demonstrating a new approach to G-NiPd-catalyzed dehydrogenation of AB and hydrogenation of R—NO 2 and R—CN. The G-NiPd NP catalyst is efficient and is reusable; thus the reaction can be performed in an environment-friendly process with short reaction times and high yields.

  单分散的NiPd合金纳米颗粒（NPs）被合成并组装在石墨烯（G）或其他支撑物上，以提供清洁、高效的串联反应催化作用——氨硼烷（AB）的脱氢和R—NO2和/或R—CN的加氢反应形成R—NH2。串联反应在室温下的水甲醇溶液中迅速高效进行，支撑的催化剂可轻松回收再利用，为制备许多常见的药物、染料或其他化学产品提供了简单、高效和“绿色”的途径。通过乙酰基丙酮硼烷-叔丁胺在油胺中共还原醋酸镍（II）和醋酸钯（II）制备了3.4纳米尺寸的NiPd合金NPs，并通过溶液相自组装过程沉积在G上。G-NiPd显示出与组成相关的串联反应催化作用，其中G-Ni30Pd70是最活跃的。通过G-Ni30Pd70催化的串联反应，各种R—NO2和/或R—CN衍生物（R烷基或芳基）在短时间（5-30分钟）内选择性地还原为R—NH2，转化率可达100%，展示了G-NiPd催化的氨硼烷脱氢和R—NO2以及R—CN的加氢的新方法。G-NiPd NP催化剂高效且可重复使用；因此，反应可以在环保过程中进行，反应时间短，产率高。
• [EN] FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS<br/>[FR] DÉRIVÉS DE THIOPHÈNE ET DE THIAZOLE FUSIONNÉS UTILISÉS EN TANT QUE MODULATEURS GAMMA ROR
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015101928A1

  公开（公告）日：2015-07-09

  The present invention provides fused thiophene and thiazole derivatives of formula (I), which may be therapeutically useful, more particularly as RORγ modulators; in which R1, R2, R3, R4, R5, R6, R7, X1, X2, L, m, n and ring A have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention of diseases or disorders, in particular their use in disease(s) or disorder(s) where there is an advantage in modulating RORγ receptor. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the fused thiophene and thiazole derivatives of formula (I), together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了公式（I）的融合噻吩和噻唑衍生物，可能在治疗上有用，更具体地作为RORγ调节剂；其中R1、R2、R3、R4、R5、R6、R7、X1、X2、L、m、n和环A的含义如规范中所述，并且其药学上可接受的盐在治疗和预防疾病或疾病中有用，特别是在调节RORγ受体方面具有优势的疾病或紊乱的使用。本发明还提供了化合物的制备以及包含至少一种公式（I）的融合噻吩和噻唑衍生物的药物配方，以及药学上可接受的载体、稀释剂或赋形剂。
• [EN] PYRROLOPYRAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PYRROLOPYRAZINE KINASE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013030138A1

  公开（公告）日：2013-03-07

  The present invention relates to the use of novel pyrrolopyrazine derivatives of Formula I, wherein the variables are defined as described herein, which inhibit JAK and SYK and are useful for the treatment of auto-immune and inflammatory diseases.

  本发明涉及式I的新型吡咯并吡嗪衍生物的使用，其中变量如本文所述定义，其抑制JAK和SYK，并可用于治疗自身免疫和炎症性疾病。