5-Bromo-1,3-dihydrobenzoimidazol-2-one

Base Information

• Chemical Name: 5-Bromo-1,3-dihydrobenzoimidazol-2-one
• CAS No.: 39513-26-3
• Molecular Formula: C7H5 Br N2 O
• Molecular Weight: 213.033
• Hs Code.: 2933990090
• European Community (EC) Number: 692-518-4
• DSSTox Substance ID: DTXSID20481392
• Wikidata: Q72454547
• Mol file: 39513-26-3.mol

Synonyms:5-Bromo-1,3-dihydrobenzoimidazol-2-one;39513-26-3;5-bromo-1H-benzo[d]imidazol-2(3H)-one;5-bromo-1,3-dihydrobenzimidazol-2-one;MFCD01893032;5-Bromo-1,3-dihydro-benzoimidazol-2-one;5-Bromo-1,3-dihydro-2H-benzimidazol-2-one;5-bromo-2,3-dihydro-1H-1,3-benzodiazol-2-one;5-bromo-1,3-dihydro-1,3-benzodiazol-2-one;5-BROMO-1,3-DIHYDRO-BENZIMIDAZOL-2-ONE;SCHEMBL473854;SCHEMBL615808;5-bromo-2-hydroxybenzimidazole;SCHEMBL8873633;DTXSID20481392;VWIGEYVTDXNDHV-UHFFFAOYSA-N;3-Nitro-4-chlorobenzenesulfonanilide;AKOS000185878;AKOS005152229;AB10496;CS-W005438;FS-2372;5-Bromo-1,3-dihyrobenzoimidazol-2-one;SY004487;5-bromanyl-1,3-dihydrobenzimidazol-2-one;A6610;AM20040368;FT-0647101;EN300-62355;5-Bromo-1 pound not3-dihydrobenzoimidazol-2-one;A824592;5-bromo-1,3-dihydrobenzoimidazol-2-one, AldrichCPR;J-516790

Chemical Property of 5-Bromo-1,3-dihydrobenzoimidazol-2-one

Chemical Property:

• Vapor Pressure: 0.915mmHg at 25°C
• Melting Point: 336-337 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 180.016°C at 760 mmHg
• PKA: 11.18±0.30(Predicted)
• Flash Point: 62.672°C
• PSA: 48.65000
• Density: 1.728g/cm3
• LogP: 1.61870
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 211.95853
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-1,3-dihydrobenzimidazol-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)NC(=O)N2

Technology Process of 5-Bromo-1,3-dihydrobenzoimidazol-2-one

There total 14 articles about 5-Bromo-1,3-dihydrobenzoimidazol-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: 100.0%

1,1'-carbonyldiimidazole (530-62-1) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromo-1,3-dihydro-benzoimidazol-2-one (39513-26-3)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 15h;

DOI:10.1021/acs.jmedchem.6b00709

Reference yield: 98.5%

5-Brom-anthranilsaeurehydroxamsaeure (28230-35-5) → 5-bromo-1,3-dihydro-benzoimidazol-2-one (39513-26-3)

Guidance literature:

In formamide; at 130 ℃; for 0.333333h;

DOI:10.1021/je00032a042

Reference yield: 93.0%

carbon dioxide (124-38-9,18923-20-1) + 4-Bromo-benzene-1,2-diamine (1575-37-7) → 5-bromo-1,3-dihydro-benzoimidazol-2-one (39513-26-3)

Guidance literature:

With Sn(IV)-doped DFNS supported CdSnO₃ nanoparticles; for 1h; under 11251.1 Torr; UV-irradiation;

DOI:10.1007/s10562-020-03528-x

upstream raw materials:

phosgene

4-Bromo-benzene-1,2-diamine

5-Brom-anthranilsaeurehydroxamsaeure

5-bromo-1-(N-carbethoxyimidoyl)-2-benzimidazolone

Downstream raw materials:

6-bromo-2-chloro-1H-benzo[d]imidazole

5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one

5-phenyl-1H-benzo[d]imidazol-2(3H)-one

5-benzyl-1,3-dihydro-2H-benzimidazol-2-one

Refernces

• 1、 Adamson, Christopher,Kajino, Hidetoshi,Kanai, Motomu,Kawashima, Shigehiro A.,Yamatsugu, Kenzo. "Live-Cell Protein Modification by Boronate-Assisted Hydroxamic Acid Catalysis". supporting information. p. 14976 - 14980. Retrieved 2021/09/29.
• 2、 Liu, Jinghan,Ma, Jianjun,Miao, Penghua,Min, Qingwang,Qi, Meijuan,Shamsa, Farzaneh. "SBA-15 Supported Dendritic ILs as a Green Catalysts for Synthesis of 2-Imidazolidinone from Ethylenediamine and Carbon Dioxide". . . Retrieved 2021/07/26.