3,5-Dinitro-2-methylphenylboronic acid

Base Information

• Chemical Name: 3,5-Dinitro-2-methylphenylboronic acid
• CAS No.: 24341-76-2
• Molecular Formula: C7H7 B N2 O6
• Molecular Weight: 225.95100
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID10402278
• Wikidata: Q82205667
• Mol file: 24341-76-2.mol

Synonyms:24341-76-2;3,5-Dinitro-2-methylphenylboronic acid;(3,5-DINITRO-2-METHYLPHENYL)BORONIC ACID;(2-methyl-3,5-dinitrophenyl)boronic acid;2-Borono-4,6-dinitrotoluene;3,5-Dinitro-2-methylbenzeneboronic acid;C7H7BN2O6;2-methyl-3,5-dinitrophenylboronic acid;(2-methyl-3,5-dinitro-phenyl)boronic Acid;SCHEMBL4259644;DTXSID10402278;MFCD00757434;AKOS015833362;AB07034;PS-9589;FT-0638414;Boronicacid,b-(2-methyl-3,5-dinitrophenyl)-;N11957;A817239;J-511371

Chemical Property of 3,5-Dinitro-2-methylphenylboronic acid

Chemical Property:

• Vapor Pressure: 1.83E-08mmHg at 25°C
• Melting Point: 122-128oC
• Boiling Point: 438.5oC at 760 mmHg
• Flash Point: 219oC
• PSA: 132.10000
• Density: 1.53g/cm3
• LogP: 0.53760
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 226.0397161
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

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

3,5-Dinitro-2-methylphenylboronicacid ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC(=CC(=C1C)[N+](=O)[O-])[N+](=O)[O-])(O)O
• Uses: suzuki reaction 3,5-Dinitro-2-methylphenylboronic acid

Technology Process of 3,5-Dinitro-2-methylphenylboronic acid

There total 2 articles about 3,5-Dinitro-2-methylphenylboronic acid 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: 75.0%

2-Methylphenylboronic acid (16419-60-6) + nitric acid (7697-37-2,78989-43-2) → (2-CH3-3.5-(NO2)2C6H2)B(OH)2 (24341-76-2)

Guidance literature:

In sulfuric acid; nitric acid; with fuming HNO3 at -45°C;;

Reference yield:

2-Methylphenylboronic acid (16419-60-6) → (2-CH3-3.5-(NO2)2C6H2)B(OH)2 (24341-76-2)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield: 60.0%

N-(4-methoxyphenyl)benzene-1,2-diamine (25914-22-1) + (2-CH3-3.5-(NO2)2C6H2)B(OH)2 (24341-76-2) → 1-(4-methoxy-phenyl)-2-(2-methyl-3,5-dinitro-phenyl)-2,3-dihydro-1H-benzo[1,3,2]diazaborole (24341-77-3)

Guidance literature:

In toluene; byproducts: H2O; distg. the water with the solvent; filtering, recrystn. from toluene;

DOI:10.1021/jo01037a021 DOI:10.1021/ja01520a024

upstream raw materials:

2-Methylphenylboronic acid

nitric acid

Downstream raw materials:

5-dihydroxyboranyl-4-methyl-m-phenylenediamine

1-methyl-2-(2-methyl-3,5-dinitro-phenyl)-2,3-dihydro-1H-benzo[1,3,2]diazaborinin-4-one

1-(4-methoxy-phenyl)-2-(2-methyl-3,5-dinitro-phenyl)-2,3-dihydro-1H-benzo[1,3,2]diazaborole

6-methoxy-1-methyl-2-(2-methyl-3,5-dinitro-phenyl)-2,3-dihydro-1H-benzo[1,3,2]diazaborole