N-methyl-N-acetyl-L-phenylalanine | 55260-07-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-methyl-N-acetyl-L-phenylalanine
• 英文别名: N-Methyl-N-acetyl-L-phenylalanin；N-acetyl-N-methyl-L-phenylalanine；methyl (R)-N-acetylphenylalanine；acetyl-N-methylphenylalanine；(2S)-2-[acetyl(methyl)amino]-3-phenylpropanoic acid
• CAS: 55260-07-6
• 化学式: C₁₂H₁₅NO₃
• 分子量: 221.256
• InChiKey: SJIFXXUTZLGJJD-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-methyl-N-acetyl-L-phenylalanine 、 三氟乙酸酐 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以25%的产率得到(2Z)-5-benzyl-4-methyl-2-(2,2,2-trifluoroethylidene)-6-(trifluoromethyl)-1,4-oxazin-3-one
  参考文献：
  名称：

  Novel Formation and Crystal Structure of 2-(2,2,2-Trifluoroethylidene)-6-trifluoro-methyl-2,3-dihydro-4H-1,4-oxazin-3-ones from N-Acetyl-N-alkyl-a-amino Acids

  摘要：

  The title compounds (2a-g) were formed from N-acetyl-N-alkyl-alpha-amino acids (la-g) on treatment with trifluoroacetic anhydride in the presence of pyridine. The structure of the product (2a) was determined by single crystal X-Ray analysis.

  DOI：

  10.3987/com-97-7936
• 作为产物：
  描述：

  N-Cbz-N-甲基-L-苯丙氨酸甲酯 在 palladium on activated charcoal sodium hydroxide 、 氢气 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成 N-methyl-N-acetyl-L-phenylalanine
  参考文献：
  名称：

  Novel Formation and Crystal Structure of 2-(2,2,2-Trifluoroethylidene)-6-trifluoro-methyl-2,3-dihydro-4H-1,4-oxazin-3-ones from N-Acetyl-N-alkyl-a-amino Acids

  摘要：

  The title compounds (2a-g) were formed from N-acetyl-N-alkyl-alpha-amino acids (la-g) on treatment with trifluoroacetic anhydride in the presence of pyridine. The structure of the product (2a) was determined by single crystal X-Ray analysis.

  DOI：

  10.3987/com-97-7936

文献信息

• Chiral phospholanes via chiral 1,4-diol cyclic sulfates
  申请人：E. I. du Pont de Nemours and Company

  公开号：US05171892A1

  公开（公告）日：1992-12-15

  This invention relates to novel chiral 1,4-diol cyclic sulfates and their use as precursors in the preparation of chiral phospholane ligands, and chiral complexes useful as catalysts for carrying out enantioselective reactions.

  这项发明涉及新型手性1,4-二醇环状硫酸酯及其作为手性磷杂环配体制备的前体的用途，以及作为催化剂用于进行对映选择性反应的手性配合物。
• [EN] SUBSTITUTED FERROCENYLDIPHOSPHINES AS LIGANDS FOR HOMOGENEOUS HYDROGENATION CATALYSTS<br/>[FR] UTILISATION DE FERROCENYLDIPHOSPHINES SUBSTITUEES EN TANT QUE LIGANDS POUR CATALYSEURS D'HYDROGENATION HOMOGENE
  申请人：UMICORE AG & CO KG

  公开号：WO2004099226A1

  公开（公告）日：2004-11-18

  Compounds of the formula (I), in which R1 is C1-C4alkyl, C6-C10aryi or C7-C11,aralkyl, R2 is an open-chain or cyclic secondary amino group, and R is a radical of the formula in which R3 is C1-C4alkyl or C1-C4alkoxy, and R4 is H, C1-C4alkyl or C1-C4alkoxy, are ligands for metal complexes as homogeneous hydrogenation catalysts for prochiral organic compounds containing double bonds, by means of which a very high activity and productivity and also enantioselectivity can be achieved.

  化合物的公式（I），其中R1是C1-C4烷基，C6-C10芳基或C7-C11芳烷基，R2是开链或环状的次级氨基团，R是公式中的基团，其中R3是C1-C4烷基或C1-C4烷氧基，R4是H，C1-C4烷基或C1-C4烷氧基，是金属配合物的配体，作为均相氢化催化剂用于含有双键的非对映有机化合物，通过这种方式可以实现非常高的活性和生产率，同时也可以实现对映选择性。
• Maytansinoids, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0011276A1

  公开（公告）日：1980-05-28

  Novel maytansinoids of the formula: wherein R1 is hydrogen atom, an alkyl group which may optionally be substituted or a group of the formula: -A1-Y1 wherein A' is an alkylene group or a bond, and Y1 is a cycloalkyl, phenyl, indolyl or imidazolyl group which may optionally be substituted, R2 is hydrogen atom, an alkyl, cycloalkyl or benzyl group, R3 is hydrogen atom, an alkyl group which may optionally be substituted, alkoxy, bornyloxy, isobornyloxy, benzyloxy group or a group of the formula: -A2-Y2 wherein A2 is an alkylene group or a bond, and Y2 is an alicyclic hydrocarbon, phenyl or heterocyclic group which may optionally be substituted, provided that R3 is not an unsubstituted C1-4 alkyl group when both R' and R2 are methyl group, have antimicrobial antimitotic and antitumor activities.

  式中的新型美坦素类化合物： 式中 R1 是氢原子、可任选被取代的烷基或式中的一个基团：-其中 A'是亚烷基或键，Y1 是可选择被取代的环烷基、苯基、吲哚基或咪唑基、 R2 是氢原子、烷基、环烷基或苄基、 R3 是氢原子、可任选被取代的烷基、烷氧基、硼氧基、异硼氧基、苄氧基或式中的一个基团：-A2-Y2，其中 A2 是亚烷基或键，Y2 是脂环烃、苯基或杂环基（可选择被取代），条件是当 R' 和 R2 都是甲基时，R3 不是未被取代的 C1-4 烷基。
• Demethyl maytansinoids and methods for producing them
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0004466A1

  公开（公告）日：1979-10-03

  Novel demethylmaytansinoids representable by the formula: |wherein X is CI or H; R, is H or acyl group| are produced from maytansinoids by means of enzymic transformation. The demethylmaytansinoids are useful as antifungal, antiprotozoal or antitumour agents.

  可按以下公式表示的新型去甲基 maytansinoids：|其中 X 为 CI 或 H；R 为 H 或酰基： |其中，X 是 CI 或 H；R，是 H 或酰基。去甲基美坦素可用作抗真菌剂、抗原虫剂或抗肿瘤剂。
• Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0014402A1

  公开（公告）日：1980-08-20

  Novel 20-demethoxy-20-acyloxymaytansinoids representable by the formula: [wherein X is chlorine or hydrogen; R1 is hydrogen or acyl group; R2 is acyl group] are produced from 20-demethoxy-20-hydroxymaytansinoids by means of acylation. The compounds are useful as antifungal, antiprotozoal or antitumor agent.

  由 20-去甲氧基-20-羟基美坦素通过酰化反应制得的新型 20-去甲氧基-20-酰氧基美坦素： [其中 X 为氯或氢；R1 为氢或酰基；R2 为酰基]是由 20-去甲氧基-20-羟基美坦素通过酰化反应制得的。 这些化合物可用作抗真菌剂、抗原虫剂或抗肿瘤剂。