3,5-Dimethylcatechol

Base Information

• Chemical Name: 3,5-Dimethylcatechol
• CAS No.: 2785-75-3
• Molecular Formula: C8H10 O2
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• European Community (EC) Number: 819-171-5
• DSSTox Substance ID: DTXSID50274597
• Nikkaji Number: J116.745F
• Wikidata: Q77310895
• Metabolomics Workbench ID: 114680
• Mol file: 2785-75-3.mol

Synonyms:3,5-dimethylcatechol;3,5-dimethylbenzene-1,2-diol;2785-75-3;3,5-Dimethylpyrocatechol;SCHEMBL70189;3,5-dimethyl-benzene-1,2-diol;DTXSID50274597;CAA78575;F75589;EN300-1599486

Chemical Property of 3,5-Dimethylcatechol

Chemical Property:

• Vapor Pressure: 0.00861mmHg at 25°C
• Melting Point: 64-66 °C
• Boiling Point: 258.2°Cat760mmHg
• PKA: 10.02±0.15(Predicted)
• Flash Point: 124.5°C
• PSA: 40.46000
• Density: 1.162g/cm³
• LogP: 1.71460
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

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)O)O)C

Technology Process of 3,5-Dimethylcatechol

There total 22 articles about 3,5-Dimethylcatechol 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: 85.0%

3,5-Dimethylphenol (108-68-9,50356-23-5) → 3,5-dimethylcatechol (2785-75-3)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In N,N-dimethyl-formamide; at 20 - 23 ℃; for 4h;

DOI:10.1002/anie.201606359

Reference yield: 84.0%

7-methyl-3,4-dihydro-2H-benzo[b]1,4-dioxepine (1446354-11-5) → 3,5-dimethylcatechol (2785-75-3)

Guidance literature:

With aluminum (III) chloride; In benzene; for 1h; Reflux;

DOI:10.1055/s-0032-1318332

Reference yield: 76.0%

C18H15NO4 → 3,5-dimethylcatechol (2785-75-3)

Guidance literature:

With hydrazine hydrate; In ethanol; at 25 ℃; for 12h;

DOI:10.1016/j.tet.2017.01.061

upstream raw materials:

3,5-dimethyl-2-hydroxyacetophenone

2-methoxy-3,5-dimethylphenol

2-(2-hydroxy-3,5-dimethyl-phenoxy)-5-nitro-benzophenone

5-formylvanillin

Downstream raw materials:

1,2-diacetoxy-3,5-dimethyl-benzene

1,2-dimethoxy-3,5-dimethylbenzene

3,5,4',6'-tetramethyl-2,2'-methanediyl-di-phenol

3,5-dimethyl-3,5-cyclohexadiene-1,2-dione