N-(1-苯基丙基)甲酰胺 | 83834-93-9

• 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-(1-苯基丙基)甲酰胺
• 英文名称: N-(1-phenylpropyl)formamide
• 英文别名: N-(1-phenyl-propyl)-formamide；N-(1-Phenyl-propyl)-formamid；1-Phenyl-1-formylamino-propan
• CAS: 83834-93-9
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: UERJGKDKJBSKQN-UHFFFAOYSA-N

物化性质

• 沸点：
  326.6±21.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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-(1-苯基丙基)甲酰胺 在 盐酸 作用下， 反应 1.0h， 生成 1-苯基丙-1-胺
  参考文献：
  名称：

  Synthesis and structure–activity relationships of potential anticonvulsants based on 2-piperidinecarboxylic acid and related pharmacophores

  摘要：

  Using N-(2,6-dimethyl)phenyl-2-piperidinecarboxamide (1) and N-(alpha -methylbenzyl)-2-piperidinecarboxamide (2) as structural leads, a variety of analogues were synthesised and evaluated for anticonvulsant activity in the MES test in mice. In the N-benzyl series, introduction of 3-Cl, 4-Cl, 3,4-Cl-2, or 3-CF3 groups on the aromatic ring led to an increase in MES activity. Replacement of the alpha -methyl group by either i-Pr or benzyl groups enhanced MES activity with no increase in neurotoxicity. Substitution on the piperidine ring nitrogen led to a decrease in MES activity and neurotoxicity, while reduction of the amide carbonyl led to a complete loss of activity. Movement of the carboxamide group to either the 3- or 4-positions of the piperidine ring decreased MES activity and neurotoxicity. Incorporation of the piperidine ring into a tetrahydroisoquinoline or diazahydrinone nucleus led to increased neurotoxicity. In the N-(2,6-dimethyl)phenyl series, opening of the piperidine ring between the 1- and 6-positions gave the active norleucine derivative 75 (ED50 = 5.8 mg kg(-1), TD50 = 36.4 mg kg(-1), PI = 6.3). Replacement of the piperidine ring of I by cycloalkane (cyclohexane, cyclopentane, and cyclobutane) resulted in compounds with decreased MES activity and neurotoxicity, whereas replacement of the piperidine ring by a 4-pyridyl group led to a retention of MES activity with a comparable PI. Simplification of the 2-piperidinecarboxamide nucleus of 1 into a glycinecarboxamide nucleus led to about a six-fold decrease in MES activity. The 2,6-dimethylanilides were the most potent compounds in the MES test in each group of compounds evaluated, and compounds 50 and 75 should be useful leads in the development of agents for the treatment of tonic-clonic and partial seizures in man. (C) 2001 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)01206-x
• 作为产物：
  描述：

  苯丙酮 在 甲酸 、 formamide 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 N-(1-苯基丙基)甲酰胺
  参考文献：
  名称：

  Cervinka,O.; Fusek,J., Collection of Czechoslovak Chemical Communications, 1973, vol. 38, p. 441 - 446

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] IMIDAZO[1,2-B]PYRIDAZINES SUBSTITUÉES, IMIDAZO[1,5-B]PYRIDAZINES SUBSTITUÉES, COMPOSÉS APPARENTÉS ET LEUR UTILISATION DANS LE TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：LYSOSOMAL THERAPEUTICS INC

  公开号：WO2017192930A1

  公开（公告）日：2017-11-09

  The invention provides substituted imidazo[1,2-b]pyridazine compounds, substituted imidazo[1,5-b]pyridazine compounds, related compounds, compositions containing such compounds, medical kits, and methods for using such compounds and compositions to treat medical disorders, e.g., Gaucher disease, Parkinson's disease, Lewy body disease, dementia, or multiple system atrophy, in a patient. Exemplary substituted imidazo[1,2-b]pyridazine compounds described herein include substituted imidazo[1,2-b]pyridazine-3-carboxamide compounds and variants thereof.

  该发明提供了替代咪唑并[1,2-b]吡啶嗪化合物，替代咪唑并[1,5-b]吡啶嗪化合物，相关化合物，含有这些化合物的组合物，医疗工具包，以及使用这些化合物和组合物治疗医疗疾病（例如高雪氏病、帕金森病、Lewy体病、痴呆症或多系统萎缩）的方法，适用于患者。这里描述的示例替代咪唑并[1,2-b]吡啶嗪化合物包括替代咪唑并[1,2-b]吡啶嗪-3-羧酰胺化合物及其变体。
• [EN] THERAPEUTIC COMPOUNDS AND COMPOSITIONS<br/>[FR] COMPOSÉS ET COMPOSITIONS THÉRAPEUTIQUES
  申请人：EXITHERA PHARMACEUTICALS INC

  公开号：WO2018118705A1

  公开（公告）日：2018-06-28

  The present invention provides compounds that inhibit Factor XIa or kallikrein and pharmaceutically acceptable salts thereof and compositions thereof. The present invention also provides methods of using these compounds and compositions.

  本发明提供了抑制因子XIa或激肽酶以及其药用盐和组合物的化合物。本发明还提供了使用这些化合物和组合物的方法。
• Comparison of different reducing systems in the synthesis of functionally substituted benzylamines from alkyl aryl ketones and aromatic aldehydes
  作者：D. M. Musatov、E. V. Starodubtseva、O. V. Turova、D. V. Kurilov、M. G. Vinogradov、A. K. Rakishev、M. I. Struchkova

  DOI：10.1134/s1070428010070110

  日期：2010.7

  Different synthetic approaches to functionally substituted benzylamines were examined: reductive amination of alkyl aryl ketones and reduction of aromatic aldehyde oximes. The most efficient procedures were used to prepare a series of previously unknown hydroxy-, alkoxy-, and halogen-substituted benzylamines.

  研究了功能性取代的苄胺的不同合成方法：烷基芳基酮的还原胺化和芳族醛肟的还原。最有效的方法用于制备一系列先前未知的羟基，烷氧基和卤素取代的苄胺。
• Direct Synthesis of N‐formamides by Integrating Reductive Amination of Ketones and Aldehydes with CO₂ Fixation in a Metal‐Organic Framework
  作者：Wenyuan Huang、Qingqing Mei、Shaojun Xu、Bing An、Meng He、Jiangnan Li、Yinlin Chen、Xue Han、Tian Luo、Lixia Guo、Joseph Hurd、Daniel Lee、Evan Tillotson、Sarah J. Haigh、Alex Walton、Sarah J. Day、Louise S. Natrajan、Martin Schröder、Sihai Yang

  DOI：10.1002/chem.202303289

  日期：2024.2

  Ru/MFM-300(Cr) was used as catalyst for the one-pot N-formylation of both aldehydes and ketones (30 substrates) in high yield. Synchrotron PXRD reveals the activation of carbonyl compounds via confined binding within MFM-300(Cr). Nuclear magnetic resonance (NMR) spectroscopic analysis and control experiments suggest formate species as the intermediate derived from the reduction of CO2 and reveal the

  Ru/MFM-300(Cr) 用作醛和酮（30 种底物）一锅法 N-甲酰化反应的催化剂，收率高。同步加速器 PXRD 揭示了羰基化合物通过 MFM-300(Cr) 内的限制结合而活化。核磁共振(NMR)光谱分析和控制实验表明甲酸盐物质是CO 2还原过程中产生的中间体，并揭示了可能的反应途径。
• SILVER-(CONJUGATED COMPOUND) COMPLEX
  申请人：Sumitomo Chemical Co., Ltd

  公开号：EP2478981A1

  公开（公告）日：2012-07-25

  A silver-(conjugated compound) composite comprising silver particles having a number-average Feret diameter of not more than 1,000 nm, and a conjugated compound having a weight-average molecular weight of not less than 3.0×102 adsorbed to the silver particles. The composite exhibits excellent conductivity and charge injection properties, and excellent dispersibility within non-polar solvents

  一种银-（共轭化合物）复合材料，由平均费里特直径不大于 1,000 纳米的银颗粒和吸附在银颗粒上的平均分子量不小于 3.0×102 的共轭化合物组成。这种复合材料具有优异的导电性和电荷注入特性，在非极性溶剂中具有优异的分散性。