2-Tert-butyl-4-methyl-6-nitrophenol

Base Information

• Chemical Name: 2-Tert-butyl-4-methyl-6-nitrophenol
• CAS No.: 70444-48-3
• Molecular Formula: C11H15NO3
• Molecular Weight: 209.245
• European Community (EC) Number: 658-363-1
• DSSTox Substance ID: DTXSID10395732
• Nikkaji Number: J2.774.724H
• Wikidata: Q82195966

Synonyms:2-tert-butyl-4-methyl-6-nitrophenol;70444-48-3;Phenol, 2-(1,1-dimethylethyl)-4-methyl-6-nitro-;LABOTEST-BB LT00239246;SCHEMBL17500084;DTXSID10395732;2-Nitro-4-methyl-6-tert-butylphenol;AKOS000445180

Chemical Property of 2-Tert-butyl-4-methyl-6-nitrophenol

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.10519334
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Tert-butyl-4-methyl-6-nitrophenol

There total 2 articles about 2-Tert-butyl-4-methyl-6-nitrophenol 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: 88.0%

2-tert-Butyl-4-methylphenol (2409-55-4) → 6-tert-butyl-4-methyl-2-nitrosophenol (70444-48-3)

Guidance literature:

With aluminum(III) nitrate nonahydrate; sulfuric acid; silica gel; silica gel; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1139/V09-081

Reference yield:

→ 6-tert-butyl-4-methyl-2-nitrosophenol (70444-48-3)

Guidance literature:

6-tert-Butyl-4-methyl-phenol, HNO3;

Reference yield:

6-tert-butyl-4-methyl-2-nitrosophenol (70444-48-3) → 2-Amino-6-tert-butyl-4-methyl-phenol (19059-89-3)

Guidance literature:

With acetic acid; zinc;

DOI:10.1021/ja01648a068

upstream raw materials:

2-tert-Butyl-4-methylphenol

Downstream raw materials:

2-Amino-6-tert-butyl-4-methyl-phenol

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