3,6-Dihydroxy-4,5-dimethylphthalaldehyde

Base Information

• Chemical Name: 3,6-Dihydroxy-4,5-dimethylphthalaldehyde
• CAS No.: 52643-54-6
• Molecular Formula: C10H10O4
• Molecular Weight: 194.18
• Hs Code.: 2912491000
• DSSTox Substance ID: DTXSID60200620
• Wikidata: Q83073762
• ChEMBL ID: CHEMBL158042
• Mol file: 52643-54-6.mol

Synonyms:3,6-DHDP;3,6-dihydroxy-4,5-dimethylphthalaldehyde;4,5-dimethyl-3,6-dihydroxyphthalaldehyde

Chemical Property of 3,6-Dihydroxy-4,5-dimethylphthalaldehyde

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 317.8°Cat760mmHg
• Flash Point: 160.2°C
• PSA: 74.60000
• Density: 1.365g/cm³
• LogP: 1.33960
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,6-Dihydroxy-4,5-dimethylphthalaldehyde

There total 1 articles about 3,6-Dihydroxy-4,5-dimethylphthalaldehyde 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:

2,3-dimethyl-5,6-bis-piperidin-1-ylmethyl-benzene-1,4-diol (14446-51-6) → 3,6-Dihydroxy-4,5-dimethylphthalaldehyd (52643-54-6)

Guidance literature:

With chromium(VI) oxide; acetic acid;

DOI:10.1021/jm00251a026

Reference yield: 35.0%

3,6-Dihydroxy-4,5-dimethylphthalaldehyd (52643-54-6) + dimethyl sulfate (77-78-1) → 2-formyl-3,6-dimethoxy-4,5-dimethylbenzaldehyde (73861-59-3)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating;

DOI:10.1021/jm00180a009

Reference yield: 11.0%

3,6-Dihydroxy-4,5-dimethylphthalaldehyd (52643-54-6) + dimethyl sulfate (77-78-1) → 4,5-dimethyl-3-hydroxy-6-methoxyphthalaldehyde (73861-58-2)

Guidance literature:

With potassium carbonate; In acetone; for 1.5h; Heating;

DOI:10.1021/jm00180a009

upstream raw materials:

2,3-dimethyl-5,6-bis-piperidin-1-ylmethyl-benzene-1,4-diol

Downstream raw materials:

4,5-dimethyl-3-hydroxy-6-methoxyphthalaldehyde

2-formyl-3,6-dimethoxy-4,5-dimethylbenzaldehyde

2,3-Dimethyl-5,6-bis(hydroxymethyl)-1,4-benzochinon

Ethyl-carbamic acid 2-ethylcarbamoyloxymethyl-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dienylmethyl ester

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