Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

Base Information

• Chemical Name: Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
• CAS No.: 215659-03-3
• Molecular Formula: C9H9NO6
• Molecular Weight: 227.174
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00694261
• Wikidata: Q82623301
• Mol file: 215659-03-3.mol

Synonyms:methyl 5-hydroxy-4-methoxy-2-nitrobenzoate;215659-03-3;Benzoic acid, 5-hydroxy-4-methoxy-2-nitro-, methyl ester;MFCD17168870;Methyl5-hydroxy-4-methoxy-2-nitrobenzoate;n-PropylMagnesiuMchloride;SCHEMBL1013315;DTXSID00694261;ZKUUVVYMPUDTGJ-UHFFFAOYSA-N;AKOS015856258;AF-0712;CS-0133669;Methyl 5-hydroxy-4-methoxy-2-nitro-benzoate;D82295;5-Hydroxy-4-methoxy-2-nitrobenzoic acid, methyl ester;2-Methoxy-5-(methoxycarbonyl)-4-nitrophenol, 2-Hydroxy-4-(methoxycarbonyl)-5-nitroanisole

Chemical Property of Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

Chemical Property:

• Boiling Point: 419.5±45.0 °C(Predicted)
• PKA: 6.20±0.24(Predicted)
• PSA: 101.58000
• Density: 1.405±0.06 g/cm3(Predicted)
• LogP: 1.61880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 227.04298701
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-Hydroxy-4-methoxy-2-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC)O

Technology Process of Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

There total 7 articles about Methyl 5-hydroxy-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: 96.0%

methanol (67-56-1) + 5-hydroxy-4-methoxy-2-nitrobenzoic acid (31839-20-0) → methyl 5-hydroxy-4-methoxy-2-nitrobenzoate (215659-03-3)

Guidance literature:

sulfuric acid; for 48h; Heating / reflux;

Reference yield: 93.5%

methanol (67-56-1) + methyl 4,5-dimethoxy-2-nitrobenzoate (26791-93-5) → methyl 5-hydroxy-4-methoxy-2-nitrobenzoate (215659-03-3)

Guidance literature:

methyl 4,5-dimethoxy-2-nitrobenzoate; With water; potassium hydroxide; at 100 ℃; for 5h;

methanol; With sulfuric acid; for 6h; Inert atmosphere; Reflux;

Reference yield: 87.0%

5-hydroxy-4-methoxy-2-nitrobenzoic acid (31839-20-0) → methyl 5-hydroxy-4-methoxy-2-nitrobenzoate (215659-03-3)

Guidance literature:

With sulfuric acid; In methanol;

upstream raw materials:

methanol

5-hydroxy-4-methoxy-2-nitrobenzoic acid

3-hydroxy-4-methoxybenzoate

ethyl 2-nitro-4,5-dimethoxybenzoate

Downstream raw materials:

methyl 5-(benzyloxy)-4-methoxy-2-nitrobenzoate

methyl 4-methoxy-5-(2-methoxyethoxy)-2-nitrobenzoate

4-methoxy-5-(3-morpholinylpropoxy)-2-nitrobenzoic acid methyl ester

methyl 5-(3-chloropropoxy)-4-methoxy-2-nitrobenzoate

Refernces

• 1、 -. "PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ?-CELL PATHOGENESIS AND TREATING DIABETES". Page/Page column 23-24. . Retrieved 2021/06/11.
• 2、 -. "Process for preparation of substituted P-aminophenol". Page/Page column 10; 11. . Retrieved 2013/08/28.