L-Phenylalanine, N-(trifluoroacetyl)-

Base Information

• Chemical Name: L-Phenylalanine, N-(trifluoroacetyl)-
• CAS No.: 2728-61-2
• Molecular Formula: C11H10 F3 N O3
• Molecular Weight: 261.201
• NSC Number: 522635,192720
• DSSTox Substance ID: DTXSID30275946
• Nikkaji Number: J2.482.605H
• ChEMBL ID: CHEMBL3252145
• Mol file: 2728-61-2.mol

Synonyms:trifluoroacetyl-L-phenylalanine

Chemical Property of L-Phenylalanine, N-(trifluoroacetyl)-

Chemical Property:

• Vapor Pressure: 5.27E-07mmHg at 25°C
• Boiling Point: 396.7°Cat760mmHg
• Flash Point: 193.7°C
• Density: 1.381g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 261.06127767
• Heavy Atom Count: 18
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(F)(F)F

Technology Process of L-Phenylalanine, N-(trifluoroacetyl)-

There total 8 articles about L-Phenylalanine, N-(trifluoroacetyl)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

ethyl trifluoroacetate, (383-63-1) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → N-(trifluoroacetyl)-DL-phenylalanine (2728-61-2)

Guidance literature:

Phenylalanine; With triethylamine; In methanol; for 0.0833333h;

ethyl trifluoroacetate,; In methanol; for 24h;

DOI:10.1002/ejoc.201200722

Reference yield: 91.0%

S-dodecyl trifluorothioacetate (848860-95-7) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → N-(trifluoroacetyl)-DL-phenylalanine (2728-61-2)

Guidance literature:

With tetrabutylammomium bromide; sodium hydrogencarbonate; In acetonitrile; at 50 ℃; for 6.5h;

DOI:10.1055/s-2004-837209

Reference yield:

Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) + trifluoroacetic anhydride (407-25-0) → N-(trifluoroacetyl)-DL-phenylalanine (2728-61-2)

Guidance literature:

DOI:10.1021/jo50012a014

upstream raw materials:

S-ethyl trifluoroacetate

Phenylalanine

trifluoroacetic anhydride

trifluoracetyl chloride

Downstream raw materials:

N-trifluoroacetyl-DL-phenylalanyl chloride

Trifluoracetyl-DL-phenylalanin-glycinethylester

phenyliodoniumiodid

(+/-)-3-phenyl-2-(2,2,2-trifluoro-acetylamino)-thiopropionic acid phenyl ester