Methyl 2-formyl-5-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-formyl-5-nitrobenzoate
• CAS No.: 142314-69-0
• Molecular Formula: C9H7NO5
• Molecular Weight: 209.158
• European Community (EC) Number: 896-592-0
• DSSTox Substance ID: DTXSID60599925
• Nikkaji Number: J2.675.982J
• Wikidata: Q82495887
• Mol file: 142314-69-0.mol

Synonyms:methyl 2-formyl-5-nitrobenzoate;142314-69-0;SCHEMBL9475477;DTXSID60599925;DPABNAAJVWBNAT-UHFFFAOYSA-N;DB-319878;EN300-4417586;Z1650063186

Chemical Property of Methyl 2-formyl-5-nitrobenzoate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 209.03242232
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-formyl-5-nitrobenzoate

There total 8 articles about Methyl 2-formyl-5-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: 94.0%

3-hydroxy-6-nitro-1-(3H)isobenzofuranone (77619-93-3) + methyl iodide (74-88-4) → methyl 2-formyl-5-nitrobenzoate (142314-69-0)

Guidance literature:

3-hydroxy-6-nitro-1-(3H)isobenzofuranone; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetone; for 0.166667h;

methyl iodide; In acetone; at 20 ℃; for 4h;

DOI:10.1080/00397910802238809

Reference yield: 73.0%

2-formyl-5-nitrobenzoic acid (7464-91-7) + dimethyl sulfate (77-78-1) → methyl 2-formyl-5-nitrobenzoate (142314-69-0)

Guidance literature:

2-formyl-5-nitrobenzoic acid; dimethyl sulfate; With potassium carbonate; In acetone; at 20 ℃; for 2h; Inert atmosphere;

In acetone; for 1h; Reflux;

DOI:10.1021/ol5031603

Reference yield: 68.0%

C13H13NO8 (198821-81-7) → methyl 2-formyl-5-nitrobenzoate (142314-69-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; for 5h; Heating / reflux;

upstream raw materials:

methyl iodide

C₁₃H₁₃NO₈

3-hydroxy-6-nitro-1-(3H)isobenzofuranone

6-nitro-3-bromo-3H-isobenzofuran-1-one

Downstream raw materials:

4-nitro-phthalic acid-2-methyl ester