4-(DIHYDROXYBORYL)-2-NITROBENZOIC ACID

Base Information

• Chemical Name: 4-(DIHYDROXYBORYL)-2-NITROBENZOIC ACID
• CAS No.: 80500-28-3
• Molecular Formula: C7H6BNO6
• Molecular Weight: 210.939
• Hs Code.: 2931900090
• Mol file: 80500-28-3.mol

Synonyms:4-borono-2-nitrobenzoic acid;

Chemical Property of 4-(DIHYDROXYBORYL)-2-NITROBENZOIC ACID

Chemical Property:

• Vapor Pressure: 7.56E-10mmHg at 25°C
• Melting Point: 220°C(lit.)
• Boiling Point: 475.5°C at 760 mmHg
• PKA: 2.08±0.25(Predicted)
• Flash Point: 241.4°C
• PSA: 123.58000
• Density: 1.62g/cm³
• LogP: -0.50400
• Storage Temp.: 2-8°C
• Solubility.: soluble in Methanol

Purity/Quality:

98%min ^*data from raw suppliers

4-(Dihydroxyboryl)-2-nitrobenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(DIHYDROXYBORYL)-2-NITROBENZOIC ACID

There total 1 articles about 4-(DIHYDROXYBORYL)-2-NITROBENZOIC 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: 80.0%

(4-methyl-3-nitrophenyl)boronic acid (80500-27-2) → 3-nitro-4-carboxyphenyl boronic acid (80500-28-3)

Guidance literature:

(4-methyl-3-nitrophenyl)boronic acid; With sodium hydroxide; In water; at 50 ℃; for 96h;

With potassium permanganate; In water; at 50 ℃; for 120h; Darkness;

DOI:10.1016/j.bmcl.2010.04.007

Reference yield: 89.0%

3-nitro-4-carboxyphenyl boronic acid (80500-28-3) → 3-amino-4-carboxyphenylboronic acid (85107-51-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethanol; at 20 ℃; for 24h; under 1520.1 Torr;

DOI:10.1016/j.bmcl.2010.04.007

Reference yield:

3-nitro-4-carboxyphenyl boronic acid (80500-28-3) + 2-chloro-3-trifluoromethyl-pyridine (65753-47-1) + trifluoroacetic acid (76-05-1) → 2-nitro-4-(3-trifluoromethyl-pyridin-2-yl)-benzoic acid trifluoroacetic acid salt (861102-62-7)

Guidance literature:

3-nitro-4-carboxyphenyl boronic acid; 2-chloro-3-trifluoromethyl-pyridine; With cesium fluoride; sodium carbonate; In 1,4-dioxane; water; at 140 ℃; for 0.25h;

trifluoroacetic acid; In acetonitrile;

upstream raw materials:

(4-methyl-3-nitrophenyl)boronic acid

Downstream raw materials:

(4-dihydroxyboranyl-2-nitro-phenyl)-carbamic acid ethyl ester

3-amino-4-carboxyphenylboronic acid

acetic acid-(4-dihydroxyboranyl-2-nitro-anilide)

N,N'-bis-(4-dihydroxyboranyl-2-nitro-phenyl)-urea

Refernces