5-Ethoxy-4-methoxy-2-nitrobenzoate

Base Information

• Chemical Name: 5-Ethoxy-4-methoxy-2-nitrobenzoate
• CAS No.: 61948-83-2
• Molecular Formula: C₁₀H₁₁NO₆
• Molecular Weight: 241.2
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50977490
• Wikidata: Q82962664
• Mol file: 61948-83-2.mol

Synonyms:5-ethoxy-4-methoxy-2-nitrobenzoate;SCHEMBL8125393;DTXSID50977490

Chemical Property of 5-Ethoxy-4-methoxy-2-nitrobenzoate

Chemical Property:

• Vapor Pressure: 5.37E-11mmHg at 25°C
• Melting Point: 213-214 °C
• Refractive Index: 1.614
• Boiling Point: 416.5 °C at 760 mmHg
• PKA: 2.36±0.25(Predicted)
• Flash Point: 205.7 °C
• PSA: 101.58000
• Density: 1.352 g/cm³
• LogP: 3.40380
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 240.05081204
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

99%min ^*data from raw suppliers

5-ETHOXY-4-METHOXY-2-NITROBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C(=C1)C(=O)[O-])[N+](=O)[O-])OC

Technology Process of 5-Ethoxy-4-methoxy-2-nitrobenzoate

There total 4 articles about 5-Ethoxy-4-methoxy-2-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:

5-ethoxy-4-methoxy-2-nitro-toluene (103095-42-7) → 5-ethoxy-4-methoxy-2-nitro-benzoic acid (61948-83-2)

Guidance literature:

With potassium permanganate;

Reference yield:

2-ethoxy-1-methoxy-4-methylbenzene (52711-91-8) → 5-ethoxy-4-methoxy-2-nitro-benzoic acid (61948-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; concentrated aqueous HNO₃

2: KMnO₄

With potassium permanganate; nitric acid; acetic acid;

Reference yield:

3-hydroxy-4-methoxy-6-nitrobenzaldehyde (58749-47-6) → 5-ethoxy-4-methoxy-2-nitro-benzoic acid (61948-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH solution

With sodium hydroxide;

DOI:10.1039/jr9590000172

upstream raw materials:

5-ethoxy-4-methoxy-2-nitro-toluene

5-ethoxy-4-methoxy-2-nitro-benzaldehyde

2-ethoxy-1-methoxy-4-methylbenzene

3-hydroxy-4-methoxy-6-nitrobenzaldehyde