Methyl 5-nitrobenzofuran-2-carboxylate

Base Information

• Chemical Name: Methyl 5-nitrobenzofuran-2-carboxylate
• CAS No.: 104862-11-5
• Molecular Formula: C10H7NO5
• Molecular Weight: 221.16600
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00478583
• Wikidata: Q82312064
• Mol file: 104862-11-5.mol

Synonyms:methyl 5-nitrobenzofuran-2-carboxylate;104862-11-5;METHYL 5-NITRO-1-BENZOFURAN-2-CARBOXYLATE;Methyl5-nitrobenzofuran-2-carboxylate;5-nitrobenzofuran-2-carboxylic acid methyl ester;2-Benzofurancarboxylic acid, 5-nitro-, methyl ester;SCHEMBL655464;DTXSID00478583;FMFPOZLVAJOEHS-UHFFFAOYSA-N;2-Methoxycarbonyl-5-nitrobenzofuran;AKOS015832909;Methyl 5-Nitro-2-benzofurancarboxylate;BP-20068;BS-25221;E84187

Chemical Property of Methyl 5-nitrobenzofuran-2-carboxylate

Chemical Property:

• PSA: 85.26000
• LogP: 2.65080
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 221.03242232
• Heavy Atom Count: 16
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 5-nitrobenzofuran-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
• Uses: Methyl 5-Nitro-2-benzofurancarboxylate is an intermediate in the synthesis of Ethyl 7-Aminobenzofuran 2-Carboxylate(E897800) which is an impurity of Vilazodone (V265000), a combined serotonin specific reuptake inhibitor (SSRI) and 5-HT1A receptor partial agonist currently under clinical evaluation for the treatment of major depression.

Technology Process of Methyl 5-nitrobenzofuran-2-carboxylate

There total 7 articles about Methyl 5-nitrobenzofuran-2-carboxylate 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: 68.0%

5-Nitrosalicylaldehyde (97-51-8) + dimethyl 2-bromomalonate (868-26-8) → 5-nitrobenzofuran-2-carboxylic Acid Methyl Ester (104862-11-5)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In toluene; for 20h; Heating;

DOI:10.1021/ja994192d

Reference yield: 37.0%

glycolic acid methyl ester (96-35-5) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 5-nitrobenzofuran-2-carboxylic Acid Methyl Ester (104862-11-5)

Guidance literature:

glycolic acid methyl ester; With sodium hydride; In DMF (N,N-dimethyl-formamide); for 0.166667h;

2-chloro-5-nitrobenzaldehyde; In DMF (N,N-dimethyl-formamide); at 20 - 100 ℃; for 6h;

Reference yield:

methanol (67-56-1) + 5-nitrobenzofuran-2-carboxylic acid (10242-12-3) → 5-nitrobenzofuran-2-carboxylic Acid Methyl Ester (104862-11-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

5-nitrobenzofuran-2-carboxylic acid

diazomethane

5-Nitrosalicylaldehyde

Downstream raw materials:

5-aminobenzofuran-2-carboxylic acid methyl ester

3-[(5-tert-butoxycarbonylamino-benzofuran-2-carbonyl)-amino]-benzoic acid methyl ester

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 104862-11-5 2-Benzofurancarboxylic acid, 5-nitro-, methyl ester

Send

Send

Metric Ton KG G Pound L ML

Send

Send