Methyl 2-bromo-6-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-bromo-6-nitrobenzoate
• CAS No.: 135484-76-3
• Molecular Formula: C8H6BrNO4
• Molecular Weight: 260.044
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID90567718
• Nikkaji Number: J1.121.688I
• Mol file: 135484-76-3.mol

Synonyms:METHYL 2-BROMO-6-NITROBENZOATE;135484-76-3;Benzoic acid, 2-bromo-6-nitro-, methyl ester;MFCD11977361;Benzoicacid, 2-bromo-6-nitro-, methyl ester;2-bromo-6-nitro-benzoic acid methyl ester;METHYL2-BROMO-6-NITROBENZOATE;SCHEMBL4099183;methyl 2-bromo-6-nitro-benzoate;DTXSID90567718;CBQNPPDKHCOWGD-UHFFFAOYSA-N;CL9654;AKOS015909168;CS-W007252;DS-7314;SY118969;A806939

Chemical Property of Methyl 2-bromo-6-nitrobenzoate

Chemical Property:

• Boiling Point: 306.427 °C at 760 mmHg
• Flash Point: 139.122 °C
• PSA: 72.12000
• Density: 1.674 g/cm³
• LogP: 2.66710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 258.94802
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-bromo-6-nitrobenzoate 95-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC=C1Br)[N+](=O)[O-]

Technology Process of Methyl 2-bromo-6-nitrobenzoate

There total 6 articles about Methyl 2-bromo-6-nitrobenzoate 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: 100.0%

2-bromo-6-nitrobenzoic acid (38876-67-4) + methyl iodide (74-88-4) → Methyl 2-Bromo-6-nitrobenzoate (135484-76-3)

Guidance literature:

With caesium carbonate; In methanol; N,N-dimethyl-formamide; at 0 - 20 ℃; for 14h;

DOI:10.1055/s-2007-965978

Reference yield: 100.0%

C7H3BrNO4(1-)*Cs(1+) + methyl iodide (74-88-4) → Methyl 2-Bromo-6-nitrobenzoate (135484-76-3)

Guidance literature:

In N,N-dimethyl-formamide; at 0 - 20 ℃; for 14h;

Reference yield:

2-bromo-6-nitrotoluene (55289-35-5) → Methyl 2-Bromo-6-nitrobenzoate (135484-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / KMnO₄; Na₂CO₃ / H₂O / 18 h / 100 °C

2: 100 percent / Cs₂CO₃ / methanol; dimethylformamide / 14 h / 0 - 20 °C

With potassium permanganate; sodium carbonate; caesium carbonate; In methanol; water; N,N-dimethyl-formamide;

DOI:10.1055/s-2007-965978

upstream raw materials:

2-bromo-6-nitrobenzoic acid

methyl iodide

2-bromo-6-nitrotoluene

2-carbamoyl-6-nitrobenzoic acid

Downstream raw materials:

methyl 2-allyl-6-nitrobenzoate

2-(3-hydroxy-propyl)-6-nitro-benzoic acid methyl ester

2-(2-carboxy-ethyl)-6-nitro-benzoic acid methyl ester

2-(2-methoxycarbonylamino-ethyl)-6-nitro-benzoic acid methylester