2,2,2-Trifluoro-n-(2-formylphenyl)acetamide

Base Information

• Chemical Name: 2,2,2-Trifluoro-n-(2-formylphenyl)acetamide
• CAS No.: 6203-15-2
• Molecular Formula: C9H6F3NO2
• Molecular Weight: 217.147
• DSSTox Substance ID: DTXSID40561903
• Nikkaji Number: J1.180.879D
• Wikidata: Q82445828
• Mol file: 6203-15-2.mol

Synonyms:2,2,2-trifluoro-n-(2-formylphenyl)acetamide;6203-15-2;o-trifluoroacetamidobenzaldehyde;SCHEMBL5664262;DTXSID40561903;o-(trifluoroacetamido)benzaldehyde

Chemical Property of 2,2,2-Trifluoro-n-(2-formylphenyl)acetamide

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.03506292
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,2,2-Trifluoro-n-(2-formylphenyl)acetamide

There total 4 articles about 2,2,2-Trifluoro-n-(2-formylphenyl)acetamide 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: 96.0%

o-aminobenzaldehyde (529-23-7) + trifluoroacetic anhydride (407-25-0) → 2,2,2-trifluoro-N-(2-formylphenyl)acetamide (6203-15-2)

Guidance literature:

With triethylamine; In diethyl ether; at -10 - 0 ℃;

DOI:10.1016/j.bmcl.2010.04.099

Reference yield:

stannous chloride (7772-99-8) + 2-nitro-benzaldehyde (552-89-6) → 2,2,2-trifluoro-N-(2-formylphenyl)acetamide (6203-15-2)

Guidance literature:

With trifluoroacetic anhydride; In hydrogenchloride; diethyl ether;

Reference yield:

2-Aminobenzyl alcohol (5344-90-1) → 2,2,2-trifluoro-N-(2-formylphenyl)acetamide (6203-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: manganese(IV) oxide / dichloromethane / 18 h / 30 °C

2: pyridine / dichloromethane / 4 - 20 °C

With pyridine; manganese(IV) oxide; In dichloromethane;

DOI:10.1111/cbdd.12460

upstream raw materials:

stannous chloride

2-nitro-benzaldehyde

o-aminobenzaldehyde

trifluoroacetic anhydride

Downstream raw materials:

C₁₄H₁₂F₃NO₄

1-(1-methyl-1H-indol-2-yl)ethanone