2-Ethoxy-4-nitrobenzoic acid

Base Information

• Chemical Name: 2-Ethoxy-4-nitrobenzoic acid
• CAS No.: 2486-66-0
• Molecular Formula: C9H9 N O5
• Molecular Weight: 211.174
• Hs Code.: 29163990
• DSSTox Substance ID: DTXSID30371295
• Wikidata: Q82158584
• Mol file: 2486-66-0.mol

Synonyms:2-Ethoxy-4-nitrobenzoic acid;2486-66-0;Benzoic acid, 2-ethoxy-4-nitro-;2-ethoxy-4-nitro-benzoic Acid;Benzoic acid,2-ethoxy-4-nitro-;L-ISOTHREONINEHCL;SCHEMBL97838;DTXSID30371295;BSIOETYGDXDWBR-UHFFFAOYSA-N;2-(Ethyloxy)-4-nitrobenzoic acid;MFCD02683865;2-Ethoxy-4-nitrobenzoic acid, 98%;AKOS009158792;AKOS015889413;PS-10474;CS-0313036;FT-0634316;F73292;A817526;J-015705

Chemical Property of 2-Ethoxy-4-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 5.58E-07mmHg at 25°C
• Melting Point: 148-151 °C(lit.)
• Boiling Point: 395.9°C at 760 mmHg
• PKA: 3.24±0.13(Predicted)
• Flash Point: 193.3°C
• PSA: 92.35000
• Density: 1.368g/cm³
• LogP: 2.21490
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• 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

2-Ethoxy-4-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethoxy-4-nitrobenzoic acid

There total 3 articles about 2-Ethoxy-4-nitrobenzoic acid 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:

2-ethoxy-4-nitro-benzoic acid ethyl ester (910572-96-2) → 2-ethoxy-4-nitrobenzoic acid (2486-66-0)

Guidance literature:

With sodium carbonate;

DOI:10.1021/ja01123a005

Reference yield:

2-hydroxy-4-nitrobenzoic acid (619-19-2) → 2-ethoxy-4-nitrobenzoic acid (2486-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; xylene

2: aq.-ethanolic Na₂CO₃

With sodium carbonate; potassium carbonate; xylene;

DOI:10.1021/ja01123a005

Reference yield:

2-ethoxy-1-methyl-4-nitrobenzene (2486-63-7) → 2-ethoxy-4-nitrobenzoic acid (2486-66-0)

Guidance literature:

With potassium permanganate; magnesium sulfate;

DOI:10.1002/hlca.19490320714

upstream raw materials:

2-ethoxy-1-methyl-4-nitrobenzene

2-ethoxy-4-nitro-benzoic acid ethyl ester

2-hydroxy-4-nitrobenzoic acid

Downstream raw materials:

methyl 2-ethoxy-4-nitrobenzoate

4-(tert-butoxy-carbonyl-amino)-2-ethoxy-benzoic acid

methyl 2-ethoxy-4-acetamidobenzoate