METHYL 3-BROMO-4-HYDROXY-5-NITROBENZENECARBOXYLATE

Base Information

• Chemical Name: METHYL 3-BROMO-4-HYDROXY-5-NITROBENZENECARBOXYLATE
• CAS No.: 40258-72-8
• Molecular Formula: C₈H₆BrNO₅
• Molecular Weight: 276.043
• Hs Code.: 2918290000
• Mol file: 40258-72-8.mol

Synonyms:Methyl3-bromo-5-nitro-4-hydroxybenzoate;Methyl 5-bromo-4-hydroxy-3-nitrobenzoate;3-Bromo-4-hydroxy-5-nitro-benzoic acid methyl ester;methyl 3-bromo-4-hydroxy-5-nitrobenzenecarboxylate;

Chemical Property of METHYL 3-BROMO-4-HYDROXY-5-NITROBENZENECARBOXYLATE

Chemical Property:

• Vapor Pressure: 0.000235mmHg at 25°C
• Melting Point: 131-133 °C
• Refractive Index: 1.621
• Boiling Point: 315.5 °C at 760 mmHg
• PKA: 3.62±0.38(Predicted)
• Flash Point: 144.6 °C
• PSA: 92.35000
• Density: 1.795 g/cm³
• LogP: 2.37270
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-bromo-4-hydroxy-5-nitrobenzenecarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of METHYL 3-BROMO-4-HYDROXY-5-NITROBENZENECARBOXYLATE

There total 1 articles about METHYL 3-BROMO-4-HYDROXY-5-NITROBENZENECARBOXYLATE 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:

methyl (4-hydroxy-3-nitro)benzoate (99-42-3) → 3-bromo-4-hydroxy-5-nitro-benzoic acid methyl ester (40258-72-8)

Guidance literature:

With ethanol; bromine;

Reference yield: 61.0%

3-bromo-4-hydroxy-5-nitro-benzoic acid methyl ester (40258-72-8) → methyl 3-amino-5-bromo-4-hydroxybenzoate (260249-10-3)

Guidance literature:

With tin(ll) chloride; In N,N-dimethyl-formamide; at 25 ℃; for 1h; Inert atmosphere;

Reference yield:

3-bromo-4-hydroxy-5-nitro-benzoic acid methyl ester (40258-72-8) → 5-{5-[2-Bromo-4-(4,5-dihydro-oxazol-2-yl)-6-nitro-phenoxy]-pentyl}-3-methyl-isoxazole

Guidance literature:

Multi-step reaction with 3 steps

1: 2 h / 160 - 165 °C

2: SOCl₂ / various solvent(s) / 18 h / Ambient temperature

3: 7 percent / K₂CO₃, NaI / 48 h / Heating

With thionyl chloride; potassium carbonate; sodium iodide; In various solvent(s);

DOI:10.1021/jm00122a027

upstream raw materials:

methyl (4-hydroxy-3-nitro)benzoate

Downstream raw materials:

methyl 3-amino-5-bromo-4-hydroxybenzoate

3-Bromo-4-hexadecyloxy-5-nitro-benzoic acid methyl ester

3-bromo-4-hydroxy-N-(2-hydroxyethyl)-5-nitrobenzamide

3-amino-5-bromo-4-hydroxy-benzoic acid