Urea, 1-(m-boronophenyl)-

Base Information

• Chemical Name: Urea, 1-(m-boronophenyl)-
• CAS No.: 90084-66-5
• Molecular Formula: C₇H₉BN₂O₃
• Molecular Weight: 179.971
• European Community (EC) Number: 840-121-3
• DSSTox Substance ID: DTXSID20238025
• Nikkaji Number: J83.787C
• Mol file: 90084-66-5.mol

Synonyms:90084-66-5;3-Ureidophenylboronic acid;Urea, 1-(m-boronophenyl)-;1-(m-Boronophenyl)urea;m-Ureidobenzeneboronic acid;[3-(carbamoylamino)phenyl]boronic acid;(3-Ureidophenyl)boronic acid;Benzeneboronic acid, m-ureido-;BRN 3290818;4-16-00-01684 (Beilstein Handbook Reference);(3-Ureidophenyl)boronicacid;3-ureidobenzene boronic acid;SCHEMBL1303751;DTXSID20238025;FDZYBPMGFTXHMK-UHFFFAOYSA-N;C7-H9-B-N2-O3;MFCD01676863;AKOS025293849;LS-159148;CS-0178720;EN300-3055873;Z1262639454

Chemical Property of Urea, 1-(m-boronophenyl)-

Chemical Property:

• Density: 1.36g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.0706223
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC=C1)NC(=O)N)(O)O

Technology Process of Urea, 1-(m-boronophenyl)-

There total 1 articles about Urea, 1-(m-boronophenyl)- 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:

potassium cyanate (590-28-3) + 3-Aminophenylboronic acid (30418-59-8,280563-63-5) → m-ureidophenylboronic acid (90084-66-5)

Guidance literature:

DOI:10.1021/ja01521a025

Reference yield:

m-ureidophenylboronic acid (90084-66-5) → N-(4-(3-ureidophenyl)benzyl)phthalimide

Guidance literature:

Multi-step reaction with 4 steps

1: potassium carbonate; palladium diacetate / tetrahydrofuran; water / 6 h / Molecular sieve; Reflux; Inert atmosphere

2: sodium tetrahydroborate / methanol / 20 °C / Cooling with ice

3: phosphorus tribromide / chloroform / 1 h / Cooling with ice

4: N,N-dimethyl-formamide / 20 °C

With sodium tetrahydroborate; palladium diacetate; phosphorus tribromide; potassium carbonate; In tetrahydrofuran; methanol; chloroform; water; N,N-dimethyl-formamide;

Reference yield:

m-ureidophenylboronic acid (90084-66-5) → 2-amino-4-(4-(3-ureidophenyl)benzylamino)-6-chloropyrimidine-5-carbaldehyde

Guidance literature:

Multi-step reaction with 6 steps

1: potassium carbonate; palladium diacetate / tetrahydrofuran; water / 6 h / Molecular sieve; Reflux; Inert atmosphere

2: sodium tetrahydroborate / methanol / 20 °C / Cooling with ice

3: phosphorus tribromide / chloroform / 1 h / Cooling with ice

4: N,N-dimethyl-formamide / 20 °C

5: hydrazine hydrate / ethanol / 40 °C

6: triethylamine / ethanol / Reflux

With sodium tetrahydroborate; palladium diacetate; phosphorus tribromide; potassium carbonate; hydrazine hydrate; triethylamine; In tetrahydrofuran; methanol; ethanol; chloroform; water; N,N-dimethyl-formamide;

upstream raw materials:

potassium cyanate

3-Aminophenylboronic acid