N-(2-甲基-1-苯基丙烷-2-基)甲酰胺 | 52117-13-2

• 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-(2-甲基-1-苯基丙烷-2-基)甲酰胺
• 中文别名: 3-(1-苄氧基羰基-2-哌啶基)-3-(9H-芴-9-基甲酯基&lt甲氧羰基&gt氨基)丙酸；N-(A,A-二甲基苯乙基)甲酰胺
• 英文名称: N-(1,1-dimethyl-2-phenyl-ethyl)-formamide
• 英文别名: N-(1,1-Dimethyl-2-phenyl-aethyl)-formamid；2-Formamino-2-methyl-1-phenyl-propan；N-(α,α-dimethylphenethyl)formamide；(1,1-dimethyl-2-phenylethyl) formamide；N-formyl-2-phenyl-1, 1-dimethylethanamine；N-(alpha,alpha-Dimethylphenethyl)formamide；N-(2-methyl-1-phenylpropan-2-yl)formamide
• CAS: 52117-13-2
• 化学式: C₁₁H₁₅NO
• 分子量: 177.246
• InChiKey: VDURGCJDOKTFHJ-UHFFFAOYSA-N

物化性质

• 熔点：
  63-64 °C(Solv: cyclohexane (110-82-7))
• 沸点：
  183-185 °C(Press: 15 Torr)
• 密度：
  0.995±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  N-(2-甲基-1-苯基丙烷-2-基)甲酰胺 在 草酰氯 、 甲烷磺酸 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 3,3-dimethyl-3,4-dihydroisoquinoline 2-oxide
  参考文献：
  名称：

  Synthesis and Reactivity Study of Two New Dihydroisoquinoline-Derived Oxaziridines

  摘要：

  [image omitted] The N-alkyl oxaziridines may be used as reagents for the oxidation of sulfides in acid-promoted reactions. The present work describes the behavior of two newly synthesized dihydroisoquinoline-derived oxaziridines with respect to methanesulfonic acid. An isomerization reaction was observed in the absence of sulfide.

  DOI：

  10.1080/00397911.2010.487175
• 作为产物：
  描述：

  二甲基苄基原醇 生成 N-(2-甲基-1-苯基丙烷-2-基)甲酰胺
  参考文献：
  名称：

  ZWIERZAK, A.;KOZIARA, A.;GAJDA, T.;ZAWADZKI, S.;KOTLICKI, S.

  摘要：

  DOI：

文献信息

• [EN] AMINOALCOHOL DERIVATIVES<br/>[FR] DÉRIVÉS D'AMINOALCOOLS
  申请人：ASTELLAS PHARMA INC

  公开号：WO2005110981A1

  公开（公告）日：2005-11-24

  The present invention relates to a compound formula[I]: wherein X is bond or -O-, R1 is formula[A] or formula [B] in which R5, R6 and R7 are each as defined in the description, R2 is hydrogen or lower alkyl, R3 is hydrogen or an amino protective group , R4 is formula[C], [D] or [E] in which R8, R9, R10, R11, R12, R13 and R16 are each as defined in the description, and R14 and R15 are each independently hydrogen or lower alkyl, or a prodrug thereof or a salt thereof. The compound [I] of the present invention and pharmaceutically acceptable salts thereof are useful for the prophylactic and/or the therapeutic treatment of overactive bladder, micturiation disorder and the like.

  本发明涉及一种化合物公式[I]：其中X是键或-O-，R1是公式[A]或公式[B]，其中R5、R6和R7如描述中所定义，R2是氢或低碳基，R3是氢或氨基保护基，R4是公式[C]、[D]或[E]，其中R8、R9、R10、R11、R12、R13和R16如描述中所定义，R14和R15各自独立地是氢或低碳基，或其前药或盐。本发明的化合物[I]及其药学上可接受的盐对于预防和/或治疗过度活跃膀胱、排尿障碍等方面是有用的。
• A novel modification of the Ritter reaction using trimethylsilyl cyanide
  作者：H.G. Chen、O.P. Goel、S. Kesten、J. Knobelsdorf

  DOI：10.1016/0040-4039(96)01890-4

  日期：1996.11

  A new modification of the Ritter reaction using trimethylsilyl cyanide (Me3SiCN) is described, which converts alcohols to their corresponding formamides in high yields using a convenient procedure. The reaction conditions and mechanism are discussed. In some cases, new formamides are synthesized which cannot be prepared by the classical Ritter reaction.

  描述了使用三甲基甲硅烷基氰化物（Me 3 SiCN）对Ritter反应进行的新修饰，该修饰可以使用方便的方法以高收率将醇转化为其相应的甲酰胺。讨论了反应条件和机理。在某些情况下，会合成无法通过经典的Ritter反应制备的新甲酰胺。
• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214785A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及到公式I的新化合物及其作为药物的用途，以及用于治疗的方法和含有这些化合物的药物组合物。
• Cinnamic acid derivatives, their preparation, and pharmaceutical
  申请人：Beecham Group Limited

  公开号：US04309443A1

  公开（公告）日：1982-01-05

  A compound of the formula (I): ##STR1## or a pharmaceutically acceptable ester, amide or salt thereof wherein R.sub.1 is a hydrogen, fluorine, chlorine or bromine atom or a hydroxyl, hydroxymethyl, methyl, methoxyl, amino, formamido, acetamido, methylsulphonylamido, nitro, benzyloxy, methylsulphonylmethyl, ureido, trifluoromethyl or p-methoxybenzylamino group; R.sub.2 is a hydrogen, fluorine, chlorine or bromine atom or a hydroxyl group; R.sub.3 is a hydrogen, chlorine or bromine atom or a hydroxyl group; R.sub.4 is a hydrogen, chlorine or fluorine atom or a methyl, methoxyl or hydroxyl group or a carboxylic acid group or a salt, ester or amide thereof; R.sub.5 is a hydrogen atom or a methyl group; R.sub.6 is a hydrogen atom or a methyl group; R.sub.7 is a hydrogen atom or a methyl or ethyl group; R.sub.8 is a hydrogen atom or a methyl or ethyl group; X is an oxygen atom or a bond, and Y is an alkylene group of up to 5 carbon atoms, or a bond has been found to possess anti-obesity and/or anti-hyperglycaemic activity.

  该化合物的结构式为（I）：##STR1##或其药学上可接受的酯、酰胺或盐，其中R.sub.1是氢、氟、氯或溴原子或羟基、羟甲基、甲基、甲氧基、氨基、甲酰胺基、乙酰胺基、甲基磺酰胺基、硝基、苄氧基、甲基磺基甲基、脲基、三氟甲基或对甲氧基苄氨基基团；R.sub.2是氢、氟、氯或溴原子或羟基；R.sub.3是氢、氯或溴原子或羟基；R.sub.4是氢、氯或氟原子或甲基、甲氧基或羟基或羧酸基或其盐、酯或酰胺；R.sub.5是氢原子或甲基基团；R.sub.6是氢原子或甲基基团；R.sub.7是氢原子或甲基或乙基基团；R.sub.8是氢原子或甲基或乙基基团；X是氧原子或键，Y是最多含有5个碳原子的烷基基团，或者发现具有抗肥胖和/或抗高血糖活性。
• [EN] NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES, ET LEURS UTILISATIONS
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2012028676A1

  公开（公告）日：2012-03-08

  The invention relates to new compounds of the formula (I) to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  该发明涉及公式（I）的新化合物，以及它们作为药物的用途，用于它们的治疗用途的方法以及含有它们的药物组合物。