N,N'-di(2-bromophenyl)urea

Base Information

• Chemical Name: N,N'-di(2-bromophenyl)urea
• CAS No.: 175278-34-9
• Molecular Formula: C₁₃H₁₀Br₂N₂O
• Molecular Weight: 370.043
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10372669
• Wikidata: Q82160502
• Mol file: 175278-34-9.mol

Synonyms:1,3-bis(2-bromophenyl)urea;175278-34-9;N,N'-di(2-bromophenyl)urea;N,N'-Di-(2-bromophenyl)urea;N,N'-Bis(2-bromophenyl)urea;N,N/'-DI(2-BROMOPHENYL)UREA;Maybridge1_000151;MixCom1_000283;N,N'-bis(2-Bromoyphenyl)urea;N,N'-bis-(2-Bromophenyl)urea;SCHEMBL13235126;DTXSID10372669;CCG-51691;MFCD00221475;AKOS002685269;CS-0333836;FT-0629431;SR-01000640979-1

Chemical Property of N,N'-di(2-bromophenyl)urea

Chemical Property:

• Melting Point: 235 °C
• Boiling Point: 344.4 °C at 760 mmHg
• Flash Point: 162.1 °C
• PSA: 41.13000
• Density: 1.829 g/cm³
• LogP: 5.00160
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 369.91394
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99%, ^*data from raw suppliers

N,N'-Di-(2-bromophenyl)urea 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2Br)Br

Technology Process of N,N'-di(2-bromophenyl)urea

There total 15 articles about N,N'-di(2-bromophenyl)urea 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%

3-(TRIFLUOROMETHYL)BENZYLAMINE (2740-83-2) + 2-bromophenyl isocyanate (1592-00-3) → N,N'-bis(o-bromophenyl)urea (175278-34-9) + 1-(2-bromo-phenyl)-3-(3-trifluoromethyl-benzyl)-urea + C61H41BrF78N2OSi2

Guidance literature:

In tetrahydrofuran; Yields of byproduct given. Title compound not separated from byproducts; robotic synthesis;

DOI:10.1021/jo9823442

Reference yield: 92.0%

carbon dioxide (124-38-9,18923-20-1) + N-trimethylsilyl-ortho-bromoaniline (61937-72-2) → N,N'-bis(o-bromophenyl)urea (175278-34-9)

Guidance literature:

With pyridine; at 120 ℃; for 20h; under 3800.26 Torr;

DOI:10.1002/anie.201900058

Reference yield: 90.0%

o-trifluoromethylbenzylamine (3048-01-9) + 2-bromophenyl isocyanate (1592-00-3) → N,N'-bis(o-bromophenyl)urea (175278-34-9) + 1-(2-bromo-phenyl)-3-(2-trifluoromethyl-benzyl)-urea + C61H41BrF78N2OSi2

Guidance literature:

In tetrahydrofuran; Yields of byproduct given. Title compound not separated from byproducts; robotic synthesis;

DOI:10.1021/jo9823442

upstream raw materials:

2-bromo-benzoyl azide

toluene

bis(phenyl) carbonate

2-bromoaniline

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