Methyl 2-hydroxy-6-methyl-3-nitrobenzoate

Base Information

• Chemical Name: Methyl 2-hydroxy-6-methyl-3-nitrobenzoate
• CAS No.: 89586-12-9
• Molecular Formula: C9H9NO5
• Molecular Weight: 211.174
• DSSTox Substance ID: DTXSID80519049
• Wikidata: Q82381973

Synonyms:Methyl 2-hydroxy-6-methyl-3-nitrobenzoate;89586-12-9;DTXSID80519049

Chemical Property of Methyl 2-hydroxy-6-methyl-3-nitrobenzoate

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 211.04807239
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])O)C(=O)OC

Technology Process of Methyl 2-hydroxy-6-methyl-3-nitrobenzoate

There total 4 articles about Methyl 2-hydroxy-6-methyl-3-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: 41.0%

3-oxo-butyraldehyde; sodium (Z)-1-enolate (42731-40-8) + methyl 4-nitro-3-oxobutyrate (87730-77-6) → methyl 4-methyl-3-nitrosalicylate (89586-12-9) + methyl 6-methyl-3-nitrosalicylate (24279-14-9) + methyl 5-acetyl-3-nitrosalicylate

Guidance literature:

With N,N-diisopropylethylamine hydrochloride; In tetrahydrofuran; for 240h;

DOI:10.1002/hlca.19830660821

Reference yield:

methyl ethynyl ketone (1423-60-5) + methyl 4-nitro-3-oxobutyrate (87730-77-6) → methyl 4-methyl-3-nitrosalicylate (89586-12-9) + methyl 6-methyl-3-nitrosalicylate (24279-14-9)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 96h; Ambient temperature; molecular sieves 4A;

DOI:10.1002/hlca.19830660821

Reference yield:

methyl 2-acetoxy-6-methyl-3-nitrobenzoate (89586-13-0) → methyl 4-methyl-3-nitrosalicylate (89586-12-9)

Guidance literature:

With sodium carbonate; In methanol; for 4h; Ambient temperature;

DOI:10.1002/hlca.19830660821

upstream raw materials:

trans-4-methoxy-3-buten-2-one

methyl 4-nitro-3-oxobutyrate

3-oxo-butyraldehyde; sodium (Z)-1-enolate

methyl ethynyl ketone

Downstream raw materials:

2-nitro-5-methylphenol

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