Methyl 2-methoxy-6-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-methoxy-6-nitrobenzoate
• CAS No.: 77901-52-1
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00506017
• Wikidata: Q82361557
• Mol file: 77901-52-1.mol

Synonyms:METHYL 2-METHOXY-6-NITROBENZOATE;77901-52-1;MFCD11656789;Methyl2-Methoxy-6-nitrobenzoate;SCHEMBL15971486;DTXSID00506017;AMY20539;AKOS015888181;CS-W003794;DS-2342;QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE;SY004673;A865125

Chemical Property of Methyl 2-methoxy-6-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000215mmHg at 25°C
• Melting Point: 63-65 °C(Solv: ethanol (64-17-5))
• Boiling Point: 326.5°C at 760 mmHg
• Flash Point: 152.2°C
• PSA: 81.35000
• Density: 1.294g/cm³
• LogP: 1.91320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Methoxy-6-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]

Technology Process of Methyl 2-methoxy-6-nitrobenzoate

There total 9 articles about Methyl 2-methoxy-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: 96.0%

2-nitro-6-methoxybenzoic acid (53967-73-0) + methyl iodide (74-88-4) → methyl 2-methoxy-6-nitrobenzoate (77901-52-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/acsmedchemlett.8b00549

Reference yield: 73.0%

methyl 2,6-dinitrobenzoate (42087-82-1) + sodium methylate (124-41-4) → methyl 2-methoxy-6-nitrobenzoate (77901-52-1)

Guidance literature:

In ethanol; for 11h; Heating;

Reference yield: 22.0%

6-methoxy-2-nitrotoluene (4837-88-1) + tert-butyl alcohol (75-65-0) → methyl 2-methoxy-6-nitrobenzoate (77901-52-1)

Guidance literature:

With potassium permanganate; In water; for 4h; Heating / reflux;

upstream raw materials:

diazomethane

2-nitro-6-methoxybenzoic acid

methyl 2,6-dinitrobenzoate

sodium methylate

Downstream raw materials:

5-methoxy-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

5-hydroxy-4,4-dimethyl-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

methyl 2-amino-6-ethyl benzoate

N,N'-bis-(2-methoxy-6-nitro-benzoyl)-hydrazine