Cas no 114872-93-4 (D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)-)

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- structure
114872-93-4 structure
Product Name:D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)-
CAS No:114872-93-4
MF:C12H12F3NO3
MW:275.223793983459
CID:3421649
PubChem ID:13876129
Update Time:2025-04-21

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Chemical and Physical Properties

Names and Identifiers

    • D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)-
    • 114872-93-4
    • (2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
    • EN300-28284292
    • Inchi： 1S/C12H12F3NO3/c1-7-4-2-3-5-8(7)6-9(10(17)18)16-11(19)12(13,14)15/h2-5,9H,6H2,1H3,(H,16,19)(H,17,18)/t9-/m1/s1
    • InChI Key： LQVGPVFRXHECIU-SECBINFHSA-N
    • SMILES： FC(C(N[C@@H](C(=O)O)CC1C=CC=CC=1C)=O)(F)F

Computed Properties

  • Exact Mass: 275.07692773Da
  • Monoisotopic Mass: 275.07692773Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 344
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 66.4?2

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-28284292-0.05g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
0.05g
 $455.0 2025-03-19
Enamine
EN300-28284292-0.1g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
0.1g
 $476.0 2025-03-19
Enamine
EN300-28284292-0.25g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
0.25g
 $498.0 2025-03-19
Enamine
EN300-28284292-0.5g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
0.5g
 $520.0 2025-03-19
Enamine
EN300-28284292-1.0g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
1.0g
 $541.0 2025-03-19
Enamine
EN300-28284292-2.5g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
2.5g
 $1063.0 2025-03-19
Enamine
EN300-28284292-5.0g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
5.0g
 $1572.0 2025-03-19
Enamine
EN300-28284292-10.0g
(2R)-3-(2-methylphenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid
 114872-93-4 95.0%
10.0g
 $2331.0 2025-03-19

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
2.1 Reagents: Sodium hydroxide ,  Carboxypeptidase A Solvents: Water
Reference
Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans
Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Carboxypeptidase A Solvents: Water
Reference
Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans
Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrogen bromide Solvents: Water
2.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
3.1 Reagents: Sodium hydroxide ,  Carboxypeptidase A Solvents: Water
Reference
Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans
Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium ethoxide Solvents: Ethanol
1.2 Solvents: Ethanol
1.3 Reagents: 2-Fluorobenzyl bromide
2.1 Reagents: Hydrogen bromide Solvents: Water
3.1 Reagents: Trifluoroacetic anhydride Solvents: Trifluoroacetic acid
4.1 Reagents: Sodium hydroxide ,  Carboxypeptidase A Solvents: Water
Reference
Synthesis, resolution and characterization of ring substituted phenylalanines and tryptophans
Porter, John; et al, International Journal of Peptide & Protein Research, 1987, 30(1), 13-21

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Raw materials

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Preparation Products

D-PHENYLALANINE, 2-METHYL-N-(TRIFLUOROACETYL)- Related Literature

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