1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)

Base Information

Chemical Name:1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
CAS No.:128656-63-3
Molecular Formula:C₁₂H₁₂F₃NO₂
Molecular Weight:259.228
Hs Code.:
DSSTox Substance ID:DTXSID30926183
Nikkaji Number:J1.568.381C
Wikidata:Q27096600
Metabolomics Workbench ID:150559
Mol file:128656-63-3.mol

Synonyms:1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone);N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide;DTXSID30926183;JTIIYPHJIDENCW-JTQLQIEISA-N;DB07380;PD005841;Q27096600;N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxopropyl]acetamide;N-(4,4,4-Trifluoro-3-oxo-1-phenylbutan-2-yl)ethanimidic acid;Acetamide, N-(3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl)-, (S)-

Suppliers and Price of 1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)

Chemical Property:

Vapor Pressure:6.03E-06mmHg at 25°C
Boiling Point:379°C at 760 mmHg
Flash Point:183°C
PSA：0.00000
Density:1.245g/cm³
LogP:0.00000
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:259.08201311
Heavy Atom Count:18
Complexity:309

Purity/Quality:: 99%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)NC(CC1=CC=CC=C1)C(=O)C(F)(F)F
Isomeric SMILES:CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)

There total 2 articles about 1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone) 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: 64.0%

: N-(1-benzyl-3,3,3-trifluoro-2-hydroxypropyl)acetamide

: 128656-63-3
N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-acetamide

Guidance literature:: With dichloro-acetic acid; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dimethyl sulfoxide; toluene; at 20 ℃; for 2.5h;
DOI:10.1016/S0968-0896(00)00244-3

Reference yield:

: 124044-49-1
3-amino-1,1,1-trifluoro-4-phenyl-2-butanol

: 128656-63-3
N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)-acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / HOBT; EDC / dimethylformamide / 20 °C

2: 64 percent / EDC; Cl₂CHCO₂H / dimethylsulfoxide; toluene / 2.5 h / 20 °C

With dichloro-acetic acid; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In dimethyl sulfoxide; N,N-dimethyl-formamide; toluene; 1: condensation / 2: oxidation;
DOI:10.1016/S0968-0896(00)00244-3