3,6-Dimethylbenzene-1,2,4-triol

Base Information

• Chemical Name: 3,6-Dimethylbenzene-1,2,4-triol
• CAS No.: 4380-95-4
• Molecular Formula: C8H10O3
• Molecular Weight: 154.16
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID80564216
• Nikkaji Number: J116.760J
• Wikidata: Q82448834
• Mol file: 4380-95-4.mol

Synonyms:3,6-Dimethylbenzene-1,2,4-triol;4380-95-4;SCHEMBL283464;DTXSID80564216;GSOSWVGCAPGSDU-UHFFFAOYSA-N;2-Hydroxy-3,5-dihydroxy-methyl-toluol

Chemical Property of 3,6-Dimethylbenzene-1,2,4-triol

Chemical Property:

• PSA: 60.69000
• LogP: 1.42020
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)O)C)O

Technology Process of 3,6-Dimethylbenzene-1,2,4-triol

There total 10 articles about 3,6-Dimethylbenzene-1,2,4-triol 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: 65.0%

2,5-dimethyl-3,4-di-acetoxyphenyl acetate (40853-36-9) → 2,5-dimethyl-1,3,4-trihydroxybenzene (4380-95-4)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.3184/0308234007X215834

Reference yield:

2,5-Dimethyl-1,4-benzoquinone (137-18-8) → 2,5-dimethyl-1,3,4-trihydroxybenzene (4380-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / aq. HCl / Heating

With hydrogenchloride; 1: Thiele reaction;

DOI:10.3184/0308234007X215834

Reference yield:

→ 2,5-dimethyl-1,3,4-trihydroxybenzene (4380-95-4)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

DOI:10.1007/BF02876208

upstream raw materials:

2,4-dihydroxy-3,6-dimethylbenzaldehyde

2,5-dimethyl-3,4-di-acetoxyphenyl acetate

1-nitroso-2,4-dihydroxy-3,6-dimethylbenzene

hydrogenchloride

Downstream raw materials:

3-hydroxy-2,5-dimethyl-[1,4]benzoquinone

2,5-dimethyl-3,4-di-acetoxyphenyl acetate

3,6-dimethyl-1,2,4-trimethoxybenzene

4.4'-Dihydroxy-3.6.3'.6'-tetramethyl-biphenyldichinon