3,5-Dibromo-4-hydroxybenzamide

Base Information

• Chemical Name: 3,5-Dibromo-4-hydroxybenzamide
• CAS No.: 3037-56-7
• Molecular Formula: C7H5Br2NO2
• Molecular Weight: 294.93
• DSSTox Substance ID: DTXSID60184451
• Nikkaji Number: J1.273.121C
• Wikidata: Q27109261
• Mol file: 3037-56-7.mol

Synonyms:3,5-Dibromo-4-hydroxybenzamide;3037-56-7;Benzamide, 3,5-dibromo-4-hydroxy-;c0508;Oprea1_872952;IFLab1_001586;SCHEMBL4351080;SCHEMBL10963948;CHEBI:19896;3,5-di-bromo-4-hydroxybenzamide;DTXSID60184451;HMS1416I02;AKOS024576221;SR-01000005852;SR-01000005852-1;Q27109261;F0392-0093

Chemical Property of 3,5-Dibromo-4-hydroxybenzamide

Chemical Property:

• Vapor Pressure: 0.00282mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 276.6 °C at 760 mmHg
• Flash Point: 121.1 °C
• Density: 2.122 g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 294.86665
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C(=O)N

Technology Process of 3,5-Dibromo-4-hydroxybenzamide

There total 4 articles about 3,5-Dibromo-4-hydroxybenzamide 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: 88.0%

3,5-dibromo-4-hydroxy-benzaldehyde-oxime (25952-74-3) → 3,5-dibromo-4-hydroxybenzamide (3037-56-7)

Guidance literature:

With [RuCl₂(η²-C₆H₆){P(NMe₂)₃}]; water; at 100 ℃; for 7h; Inert atmosphere; Sealed tube;

DOI:10.1021/om3006917

Reference yield:

Bromoxynil (1689-84-5) → 3,5-dibromo-4-hydroxybenzamide (3037-56-7)

Guidance literature:

With sodium perborate; water; In methanol; at 50 ℃; for 72h;

DOI:10.1002/ps.1311

Reference yield:

3,5-dibromo-4-hydroxybenzaldehyde (2973-77-5) → 3,5-dibromo-4-hydroxybenzamide (3037-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; pyridine / methanol / 24 h / 20 °C

2: [RuCl₂(η²-C₆H₆){P(NMe₂)₃}]; water / 7 h / 100 °C / Inert atmosphere; Sealed tube

With pyridine; [RuCl₂(η²-C₆H₆){P(NMe₂)₃}]; hydroxylamine hydrochloride; water; In methanol;

DOI:10.1021/om3006917

upstream raw materials:

Bromoxynil

3,5-dibromo-4-hydroxy-benzaldehyde-oxime

3,5-dibromo-4-hydroxybenzaldehyde

Downstream raw materials:

3,5-dibromo-4-hydroxybenzoic acid

Refernces

• 1、 Pasquarelli, Fabrizia,Spera, Agata,Cantarella, Laura,Cantarella, Maria. "Biodegradation of bromoxynil using the cascade enzymatic system nitrile hydratase/amidase from Microbacterium imperiale CBS 498-74. Comparison between free enzymes and resting cells". . p. 36913 - 36923. Retrieved 2015.