1-(3-Bromophenyl)imidazolidin-2-one

Base Information

• Chemical Name: 1-(3-Bromophenyl)imidazolidin-2-one
• CAS No.: 14088-96-1
• Molecular Formula: C9H9 Br N2 O
• Molecular Weight: 241.087
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20594734
• Nikkaji Number: J3.278.891B
• Wikidata: Q82489640
• Mol file: 14088-96-1.mol

Synonyms:1-(3-Bromophenyl)imidazolidin-2-one;14088-96-1;1-(3-Bromophenyl)tetrahydro-2H-imidazol-2-one;1-(3-Bromophenyl)-2-imidazolidinone;2-Imidazolidinone, 1-(3-bromophenyl)-;MFCD08443974;SCHEMBL1787047;DTXSID20594734;YWUYVOVMNCGEQZ-UHFFFAOYSA-N;AC4161;AKOS005072067;CA-0804;DA-31238;SY022750;CS-0149703;EN300-7357316;A885719;J-503110;Z1269140071

Chemical Property of 1-(3-Bromophenyl)imidazolidin-2-one

Chemical Property:

• Melting Point: 132-135°C
• Refractive Index: 1.611
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 32.34000
• Density: 1.579g/cm³
• LogP: 2.37250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 239.98983
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Bromophenyl)tetrahydro-2H-imidazol-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(=CC=C2)Br
• Uses: 1-(3-Bromophenyl)tetrahydro-2H-imidazol-2-one is a useful research chemical.

Technology Process of 1-(3-Bromophenyl)imidazolidin-2-one

There total 4 articles about 1-(3-Bromophenyl)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: 95.0%

1-(3-bromo-phenyl)-3-(2-chloro-ethyl)-urea (146257-17-2) → 1-(3-bromophenyl)imidazolidin-2-one (14088-96-1)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; for 2h; Cooling with ice;

Reference yield: 61.0%

3-azidopropanoic acid (18523-47-2,79583-67-8) + m-Bromoaniline (591-19-5) → 1-(3-bromophenyl)imidazolidin-2-one (14088-96-1)

Guidance literature:

3-azidopropanoic acid; With triethylamine; diisopropyl-carbodiimide; In N,N-dimethyl-formamide; at 25 ℃; for 0.0833333h;

m-Bromoaniline; In N,N-dimethyl-formamide; at 50 ℃; for 5h; Temperature; Time; Inert atmosphere; Darkness;

DOI:10.1021/jo401738f

Reference yield:

2-chloroethyl isothiocyanate (1943-83-5) + m-Bromoaniline (591-19-5) → 1-(3-bromophenyl)imidazolidin-2-one (14088-96-1)

Guidance literature:

With NaH; In N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

2-chloroethyl isothiocyanate

m-Bromoaniline

3-azidopropanoic acid

1-(3-bromo-phenyl)-3-(2-chloro-ethyl)-urea

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