2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one
• CAS No.: 350040-14-1
• Molecular Formula: C8H7F3N2O
• Molecular Weight: 204.1491896
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID10574823
• Wikidata: Q82463995
• Mol file: 350040-14-1.mol

Synonyms:350040-14-1;2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one;2,2,2-trifluoro-1-(4-hydrazinylphenyl)ethanone;SCHEMBL1879501;DTXSID10574823;PJQFQKAOYFOVLI-UHFFFAOYSA-N

Chemical Property of 2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one

Chemical Property:

• Boiling Point: 300.7±42.0 °C(Predicted)
• PKA: 4.01±0.20(Predicted)
• PSA: 55.12000
• Density: 1.417±0.06 g/cm3(Predicted)
• LogP: 2.49050
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)NN

Technology Process of 2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one

There total 1 articles about 2,2,2-Trifluoro-1-(4-hydrazinylphenyl)ethan-1-one 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:

2,2,2-trifluoro-1-(4-fluorophenyl)ethanone (655-32-3) → 4-trifluoroacetylphenylhydrazine (350040-14-1)

Guidance literature:

With hydrazine; In dimethyl sulfoxide; at 90 ℃; for 1h;

DOI:10.1021/ja990351h

Reference yield:

4-trifluoroacetylphenylhydrazine (350040-14-1) → ethyl 2-(4-trifluoromethyldiazirinylphenyl)diazene carboxylate

Guidance literature:

Multi-step reaction with 5 steps

1: pyridine / acetonitrile / 0.17 h

2: 98 percent / NH₂OH*HCl, pyridine / ethanol / 2 h / Heating

3: 58 percent / Et₃N / acetone / 0.17 h

4: 7 percent / NH₃ liq. / diethyl ether / 4 h / -78 °C

5: 91 percent / Pb(OAc)4 / CHCl₃

With pyridine; lead(IV) acetate; hydroxylamine hydrochloride; ammonia; triethylamine; In diethyl ether; ethanol; chloroform; acetone; acetonitrile;

DOI:10.1021/ja990351h

Reference yield:

4-trifluoroacetylphenylhydrazine (350040-14-1) → ethyl 2-(4-trifluoroacetyloximephenyl)hydrazinecarboxylate (236386-28-0)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / acetonitrile / 0.17 h

2: 98 percent / NH₂OH*HCl, pyridine / ethanol / 2 h / Heating

With pyridine; hydroxylamine hydrochloride; In ethanol; acetonitrile;

DOI:10.1021/ja990351h

upstream raw materials:

2,2,2-trifluoro-1-(4-fluorophenyl)ethanone

Downstream raw materials:

ethyl 2-(4-trifluoroacetylphenyl)hydrazinecarboxylate

ethyl 2-(4-trifluoroacetyloximephenyl)hydrazinecarboxylate

ethyl 2-(4-trifluoromethyldiaziridinylphenyl)hydrazine carboxylate

ethyl 2-(4-trifluoroacetyltosyloximephenyl)hydrazinecarboxylate