Methyl 5-bromo-2-fluoro-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-fluoro-3-nitrobenzoate
• CAS No.: 1154278-17-7
• Molecular Formula: C8H5BrFNO4
• Molecular Weight: 278.034
• Hs Code.: 2916399090
• European Community (EC) Number: 852-916-2
• DSSTox Substance ID: DTXSID70656053
• Wikidata: Q82570504
• Mol file: 1154278-17-7.mol

Synonyms:Methyl 5-bromo-2-fluoro-3-nitrobenzoate;1154278-17-7;Methyl5-bromo-2-fluoro-3-nitrobenzoate;Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester;SCHEMBL16935287;AMY3260;DTXSID70656053;MFCD12172992;AKOS009485783;AS-69268;CS-0145058;EN300-399470

Chemical Property of Methyl 5-bromo-2-fluoro-3-nitrobenzoate

Chemical Property:

• Boiling Point: 345.4±42.0 °C(Predicted)
• PSA: 72.12000
• Density: 1.742±0.06 g/cm3(Predicted)
• LogP: 2.80620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 276.93860
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

99%, ^*data from raw suppliers

Methyl5-bromo-2-fluoro-3-nitrobenzoate ^*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(=C1)Br)[N+](=O)[O-])F

Technology Process of Methyl 5-bromo-2-fluoro-3-nitrobenzoate

There total 2 articles about Methyl 5-bromo-2-fluoro-3-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: 86.0%

2-fluoro-3-nitrobenzoic acid methyl ester (946126-94-9) → methyl 5-bromo-2-fluoro-3-nitrobenzoate (1154278-17-7)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; trifluoroacetic acid; at 45 ℃; for 6h;

DOI:10.1021/ol201361f

Reference yield:

2-fluoro-3-nitro-benzoic acid (317-46-4) → methyl 5-bromo-2-fluoro-3-nitrobenzoate (1154278-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / 2 h / 60 °C

2: N-Bromosuccinimide; sulfuric acid; trifluoroacetic acid / 6 h / 45 °C

With N-Bromosuccinimide; sulfuric acid; trifluoroacetic acid;

DOI:10.1021/ol201361f

Reference yield: 87.1%

methyl 5-bromo-2-fluoro-3-nitrobenzoate (1154278-17-7) + aniline (62-53-3) → methyl 5-bromo-3-nitro-2-(phenylamino)benzoate

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 1h; Sealed tube;

upstream raw materials:

2-fluoro-3-nitrobenzoic acid methyl ester

2-fluoro-3-nitro-benzoic acid

Downstream raw materials:

methyl 2-fluoro-3-(2-fluoro-3-(2-fluoro-3-(2-fluoro-3-(2-fluoro-3-nitro-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzamido)-5-octylbenzoate

5-dodecyl-2-fluoro-3-nitrobenzoic acid

methyl 5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzoate

methyl 5-dodecyl-3-(5-dodecyl-3-(5-dodecyl-2-fluoro-3-nitrobenzamido)-2-fluorobenzamido)-2-fluorobenzoate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1154278-17-7 Methyl 5-broMo-2-fluoro-3-nitrobenzoate

Send

Send

Metric Ton KG G Pound L ML

Send

Send