3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid

Base Information

• Chemical Name: 3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid
• CAS No.: 16094-32-9
• Molecular Formula: C15H22O4
• Molecular Weight: 266.337
• ChEMBL ID: CHEMBL4227298
• DSSTox Substance ID: DTXSID00572737
• Nikkaji Number: J1.227.954J
• Wikidata: Q82461206
• Mol file: 16094-32-9.mol

Synonyms:CHEMBL4227298;SCHEMBL2791325;DTXSID00572737;FVQBNGXOHJYGMZ-UHFFFAOYSA-N;BDBM50459964;16094-32-9;3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid;3,5-di-tert-butyl-2,6-dihydroxy-benzoic acid

Chemical Property of 3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid

Chemical Property:

• XLogP3: 5.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1O)C(=O)O)O)C(C)(C)C

Technology Process of 3,5-Di-tert-butyl-2,6-dihydroxybenzoic acid

There total 3 articles about 3,5-Di-tert-butyl-2,6-dihydroxybenzoic 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: 97.0%

methyl 3,5-di-tert-butyl-2,6-dihydroxybenzoate (1201826-94-9) → 3,5-di-tert-butyl-γ-resorcylic acid (16094-32-9)

Guidance literature:

With water; potassium hydroxide; In methanol; at 65 ℃;

Reference yield:

methyl 2,6-dihydroxybenzoate (2150-45-0) → 3,5-di-tert-butyl-γ-resorcylic acid (16094-32-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid / tert-butyl methyl ether / 50 °C

2: potassium hydroxide; water / methanol / 65 °C

With sulfuric acid; water; potassium hydroxide; In methanol; tert-butyl methyl ether;

Reference yield:

→ 3,5-di-tert-butyl-γ-resorcylic acid (16094-32-9)

Guidance literature:

4.6-Di-tert.-Resorcin, CO2;

upstream raw materials:

methyl 2,6-dihydroxybenzoate

methyl 3,5-di-tert-butyl-2,6-dihydroxybenzoate