N-((S)-2-phenylethyl)isobutyric acid amide | 19145-09-6

• 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-((S)-2-phenylethyl)isobutyric acid amide
• 英文别名: (S)-(-)-(N-α-Methylbenzyl)-2-methylpropionamide；2-methyl-N-[(1S)-1-phenylethyl]propanamide
• CAS: 19145-09-6
• 化学式: C₁₂H₁₇NO
• 分子量: 191.273
• InChiKey: MXOQZZOTALYMAG-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) 、 N-((S)-2-phenylethyl)isobutyric acid amide 以 四氢呋喃 、 乙腈 为溶剂， 以23%的产率得到[Ru(η(6)-N-((S)-2-phenylethyl)isobutyric acid amide)(η(4)-1,5-cyclooctadiene)]
  参考文献：
  名称：

  手性芳烃钌络合物：3部分[钌（η 6 -arene）（η 4 -1,5-环辛二烯）]与N或O供体功能配合物在芳烃侧链

  摘要：

  芳烃钌（0）配合物羰基侧链官能等的[Ru（η 6 -C 6 H ^ 5 COR）（η 4 -COD）]或[茹（η 6 - ö -C 6 ħ 4 {R 1 } COR） （η 4 -COD）]（COD = 1,5-环辛二烯; R = H，CH 3 ; R 1 = H，CH 3，OCH 3）是通过替换的[Ru的萘配位体容易获得（η 6 -萘）（η 4 -COD）]（1）通过芳烃交换反应。这些羰基物质易受羰基官能团的标准有机反应的影响，因此允许引入带有高极性官能团（如羟基或氨基）的悬空侧链。[Ru（o -C 6 H 4 {CH 3 } COCH 3）（COD）]（3）在LDA（LDA =二异丙基锂酰胺）存在下与（-）-薄荷基氯甲酸酯的醛醇缩合反应生成[的Ru（menthyl- {3-氧代-3-η 6 - ø -甲苯基}丙酸酯）（COD）]（10）。然而，用LDA和o治疗3-tolylaldehy

  DOI：

  10.1016/s0022-328x(01)01312-2
• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲苯 为溶剂， 反应 1.0h， 以90%的产率得到N-((S)-2-phenylethyl)isobutyric acid amide
  参考文献：
  名称：

  Acylation reactions mediated by tantalum carboxylates

  摘要：

  Facile nucleophilic attack on coordinated carboxylate ligands is reported: complexes of tantalum(V) react rapidly with amines and amino acid esters to give the corresponding amides. Cyclopentadienyltantalum(V) amino acid carboxylate complexes have been prepared and reacted with free amino acid esters to give dipeptides in good yield and with high stereochemical purity.

  DOI：

  10.1021/ja00043a006

文献信息

• Synthesis of Enantiomerically Pure (1S,2S)-1-Aminocyclopropanephosphonic Acids from (2S)-Methylcyclopropanone Acetal
  作者：Antoine Fadel、Nicolas Tesson

  DOI：10.1002/1099-0690(200006)2000:11<2153::aid-ejoc2153>3.0.co;2-x

  日期：2000.6

  of methylcyclopropanone acetal (2S)-4b with chiral amines and a trialkyl phosphite has been devised, by means of which the amino phosphonate esters 8 are obtained with excellent diastereoselectivities. Catalytic hydrogenolysis and hydrolysis of these phosphonates gives (1S,2S)-1-amino-2-methylcyclopropanephosphonic acid 1b in good overall yield and with excellent enantiomeric excess.

  已经设计了甲基环丙酮缩醛 (2S)-4b 与手性胺和亚磷酸三烷基酯的一锅反应，通过该反应获得具有优异非对映选择性的氨基膦酸酯 8。这些膦酸酯的催化氢解和水解得到 (1S,2S)-1-氨基-2-甲基环丙烷膦酸 1b，总产率高，对映体过量。
• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。
• DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES
  申请人：Kowalski Jennifer A.

  公开号：US20120178734A1

  公开（公告）日：2012-07-12

  Derivatives of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid amide exhibit good inhibitory effect upon the interaction of CAMs and Leukointegrins and are thus useful in the treatment of inflammatory disease.

  6,7-二氢-5H-咪唑[1,2-a]咪唑-3-羧酸酰胺的衍生物对CAM和白细胞整合素的相互作用具有良好的抑制作用，因此在治疗炎症性疾病方面具有用途。
• URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES
  申请人：Shiro Tomoya

  公开号：US20140179670A1

  公开（公告）日：2014-06-26

  The present invention provides: an uracil derivative represented by general formula (I) or a physiologically acceptable salt thereof (in the formula, R 1 represents a hydrogen atom, a C 1-10 alkyl group, a C 2-6 alkene group or a 3- to 6-membered saturated or 4- to 6-membered unsaturated aliphatic ring group which may contain 1 to 2 hetero atoms independently selected from the group consisting of N, O and S; R 2 represents a hydrogen atom, a halogen atom, a cyano group, —NR c R d , —N═CHN(CH 3 ) 2 , or an C 1-3 alkyl group; Ar 1 and Ar 2 independently represent a 5- to 6-membered aromatic ring group which may contain 1 to 3 hetero atoms independently selected from the group consisting of N, O and S; and L represents a 6-membered aromatic ring group which may contain 1 to 4 nitrogen atoms, a pyrazole group, a triazole group, or an imidazole group); and a therapeutic agent or prophylactic agent for various inflammatory diseases associated with elastase, comprises the compound or the like as an active ingredient.

  本发明提供：一种尿嘧啶衍生物，其由通式（I）表示，或其生理上可接受的盐（在该式中，R1代表氢原子，C1-10烷基，C2-6烯基或3-至6-成员饱和或4-至6-成员不饱和的脂肪环基，该环基可以独立地选择来自N，O和S的1到2个杂原子；R2代表氢原子，卤素原子，氰基，—NRcRd，—N═CHN(CH3)2或C1-3烷基；Ar1和Ar2独立地表示5-至6-成员芳香环基，该环基可以独立地选择来自N，O和S的1到3个杂原子；L表示6-成员芳香环基，该环基可以包含1到4个氮原子，吡唑基，三唑基或咪唑基）；以及用作与弹性酶相关的各种炎症性疾病的治疗剂或预防剂，包括该化合物或类似物作为活性成分。
• Tricyclic diazepines vasopressin and oxytocin antagonists
  申请人：American Cyanamid Company

  公开号：EP0636625B1

  公开（公告）日：1999-01-27