1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-one

Base Information

• Chemical Name: 1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-one
• CAS No.: 162748-20-1
• Molecular Formula: C10H9F3N2O2
• Molecular Weight: 246.1858696
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10441122
• Wikidata: Q82257726
• Mol file: 162748-20-1.mol

Synonyms:162748-20-1;1-[4-(trifluoromethoxy)phenyl]imidazolidin-2-one;1-[4-(Trifluoromethoxy)phenyl]tetrahydro-2H-imidazol-2-one;1-(4-(Trifluoromethoxy)phenyl)imidazolidin-2-one;SCHEMBL20956958;DTXSID10441122;MFCD08689725;AKOS005072575;FA-0833;CS-0328599;A925014;J-503215

Chemical Property of 1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-one

Chemical Property:

• Melting Point: 145-146
• PKA: 13.74±0.20(Predicted)
• PSA: 45.06000
• Density: 1.391±0.06 g/cm3(Predicted)
• LogP: 1.81980
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.06161202
• Heavy Atom Count: 17
• Complexity: 288

Purity/Quality:

99%, ^*data from raw suppliers

1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=O)N1)C2=CC=C(C=C2)OC(F)(F)F

Technology Process of 1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-one

There total 4 articles about 1-[4-(Trifluoromethoxy)phenyl]imidazolidin-2-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: 88.0%

1-(4-trifluoromethoxyphenyl)-2(1H,3H)-imidazolone (155431-27-9) → 1-(4-trifluoromethoxyphenyl)-2-imidazolidinone (162748-20-1)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; for 6h; under 760 Torr; Ambient temperature;

DOI:10.1248/cpb.47.351

Reference yield:

4-(trifluoromethoxy)aniline (461-82-5) → 1-(4-trifluoromethoxyphenyl)-2-imidazolidinone (162748-20-1)

Guidance literature:

Multi-step reaction with 4 steps

2: 76 percent / pyridine / 2 h / 50 °C

3: 75 percent / 0.48N HCl / methanol; H₂O / 14 h / Ambient temperature

4: 88 percent / H₂, AcOH / 10 percent Pd/C / 6 h / 760 Torr / Ambient temperature

With pyridine; hydrogenchloride; hydrogen; acetic acid; palladium on activated charcoal; In methanol; water;

DOI:10.1248/cpb.47.351

Reference yield:

phenyl N-[4-(trifluoromethoxy)phenyl]carbamate (155432-10-3) → 1-(4-trifluoromethoxyphenyl)-2-imidazolidinone (162748-20-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / pyridine / 2 h / 50 °C

2: 75 percent / 0.48N HCl / methanol; H₂O / 14 h / Ambient temperature

3: 88 percent / H₂, AcOH / 10 percent Pd/C / 6 h / 760 Torr / Ambient temperature

With pyridine; hydrogenchloride; hydrogen; acetic acid; palladium on activated charcoal; In methanol; water;

DOI:10.1248/cpb.47.351

upstream raw materials:

1-(4-trifluoromethoxyphenyl)-2(1H,3H)-imidazolone

4-(trifluoromethoxy)aniline

phenyl N-[4-(trifluoromethoxy)phenyl]carbamate

1-(2,2-diethoxyethyl)-3-(4-trifluoromethoxyphenyl)urea

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