4-Bromo-2-hydroxybenzamide

Base Information

• Chemical Name: 4-Bromo-2-hydroxybenzamide
• CAS No.: 5428-40-0
• Molecular Formula: C7H6 Br N O2
• Molecular Weight: 216.034
• European Community (EC) Number: 611-120-3
• NSC Number: 12928
• DSSTox Substance ID: DTXSID30279505
• Wikidata: Q82012134
• Mol file: 5428-40-0.mol

Synonyms:4-bromo-2-hydroxybenzamide;5428-40-0;NSC12928;4-bromo-2-hydroxy-benzamide;SCHEMBL13740129;DTXSID30279505;MFCD07780674;NSC 12928;NSC-12928;AKOS011053284;MB04760;BS-50837;CS-0119943;EN300-267723;F72795

Chemical Property of 4-Bromo-2-hydroxybenzamide

Chemical Property:

• Vapor Pressure: 9.27E-05mmHg at 25°C
• Boiling Point: 329.4°Cat760mmHg
• PKA: 7.40±0.10(Predicted)
• Flash Point: 153°C
• PSA: 63.32000
• Density: 1.759g/cm³
• LogP: 1.95390
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

4-bromo-2-hydroxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-2-hydroxybenzamide

There total 4 articles about 4-Bromo-2-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: 90.0%

4-bromo-2-methoxybenzamide (812667-44-0) → 4-bromo-2-hydroxybenzamide (5428-40-0)

Guidance literature:

With boron trichloride; In dichloromethane; at 20 ℃;

DOI:10.1016/j.ejmech.2016.12.023

Reference yield: 76.0%

4-bromosalicylic acid (1666-28-0) → 4-bromo-2-hydroxybenzamide (5428-40-0)

Guidance literature:

4-bromosalicylic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 1.33333h;

With ammonium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield: 60.0%

4-bromo-2-Hydroxybenzoic Acid Methylester (22717-56-2) → 4-bromo-2-hydroxybenzamide (5428-40-0)

Guidance literature:

With ammonium hydroxide; In isopropyl alcohol; at 20 ℃; Inert atmosphere;

upstream raw materials:

4-bromo-2-Hydroxybenzoic Acid Methylester

4-bromo-2-methoxybenzamide

4-bromo-2-methoxybenzoic acid

4-bromosalicylic acid

Downstream raw materials:

7-bromo-1’-(3,4-difluorobenzyl)-3-(4-methoxyphenyl)-spiro[benzo[e][1,3]oxazine-2,4’-piperidin]-4(3H)-one