N-Benzyl-2,2,2-trifluoroacetamide

Base Information

• Chemical Name: N-Benzyl-2,2,2-trifluoroacetamide
• CAS No.: 7387-69-1
• Molecular Formula: C9H8 F3 N O
• Molecular Weight: 203.164
• Hs Code.: 2924299090
• NSC Number: 24676
• DSSTox Substance ID: DTXSID70995015
• Nikkaji Number: J101.605I
• Wikidata: Q82986197
• ChEMBL ID: CHEMBL4897721
• Mol file: 7387-69-1.mol

Synonyms:N-Benzyl-2,2,2-trifluoroacetamide;7387-69-1;N-Benzyltrifluoroacetamide;N-benzyl-2,2,2-trifluoro-acetamide;Acetamide, 2,2,2-trifluoro-N-(phenylmethyl)-;NSC24676;Acetamide, N-benzyl-2,2,2-trifluoro-;trifluoroacetylbenzylamine;N-benzyl-trifluoroacetamide;SCHEMBL4765237;CHEMBL4897721;N-Benzyl-2,2-trifluoroacetamide;DTXSID70995015;MFCD00188542;NSC-24676;STK360109;AKOS003242456;N-Benzyl-2,2,2-trifluoroethanimidic acid;Acetamide,2,2-trifluoro-N-(phenylmethyl)-;B5705;CS-0146631;FT-0663068;T71285;AE-641/01150036

Chemical Property of N-Benzyl-2,2,2-trifluoroacetamide

Chemical Property:

• Vapor Pressure: 0.00482mmHg at 25°C
• Melting Point: 70.0 to 74.0 °C
• Boiling Point: 276.4°C at 760 mmHg
• Flash Point: 120.9°C
• PSA: 29.10000
• Density: 1.261g/cm³
• LogP: 2.25600
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.05579836
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyltrifluoroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N-Benzyl-2,2,2-trifluoroacetamide

There total 49 articles about N-Benzyl-2,2,2-trifluoroacetamide 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: 100.0%

ethyl trifluoroacetate, (383-63-1) + benzylamine (100-46-9) → N-benzyl-2,2,2-trifluoroacetamide (7387-69-1)

Guidance literature:

at 25 ℃; for 20h; Sealed tube;

DOI:10.1039/c6cc09023k

Reference yield: 99.0%

benzylamine (100-46-9) + trifluoroacetic acid (76-05-1) → N-benzyl-2,2,2-trifluoroacetamide (7387-69-1)

Guidance literature:

With zirconium(IV) chloride; In tetrahydrofuran; at 70 ℃; for 24h; Molecular sieve; Inert atmosphere;

DOI:10.1002/chem.201104055

Reference yield: 97.0%

benzylamine (100-46-9) + trifluoroacetic anhydride (407-25-0) → N-benzyl-2,2,2-trifluoroacetamide (7387-69-1)

Guidance literature:

DOI:10.1071/CH15504

upstream raw materials:

2,4,6-trinitro-1,7-bis-trifluoroacetoxy-2,4,6-triaza-heptane

benzylamine

trifluoroacetic anhydride

1-benzyl-4,4,5-trifluoro-5-trifluoromethyl-4,5-dihydro-1H-[1,2,3]triazole

Downstream raw materials:

Benzyl isothiocyanate

2-Ethoxy-3-phenyl-5-(trifluoromethyl)-Δ⁴-1,4,2-oxazaphospholine

2,2,2-trifluoro-N,N-bis(phenylmethyl)acetamide

4-{[Benzyl-(2,2,2-trifluoro-acetyl)-amino]-methyl}-4,5-dihydro-imidazole-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS". Paragraph 0008-0009; 0063-0064. . Retrieved 2022/03/04.
• 2、 Yang, Yang,Liu, Jian,Kamounah, Fadhil S.,Ciancaleoni, Gianluca,Lee, Ji-Woong. "A CO2-Catalyzed Transamidation Reaction". . p. 16867 - 16881. Retrieved 2021/11/18.