3,5-Dimethylsalicylic acid

Base Information

• Chemical Name: 3,5-Dimethylsalicylic acid
• CAS No.: 6245-04-1
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918290000
• European Community (EC) Number: 228-356-4
• DSSTox Substance ID: DTXSID80211490
• Nikkaji Number: J211.472K
• Wikidata: Q83086425
• Mol file: 6245-04-1.mol

Synonyms:2-hydroxy-3,5-dimethylbenzoic acid;3,5-Dimethylsalicylic acid;6245-04-1;2-hydroxy-3,5-dimethylbenzoicacid;Benzoic acid, 2-hydroxy-3,5-dimethyl-;SCHEMBL122472;3,5-dimethylhydroxy-benzoic acid;DTXSID80211490;EINECS 228-356-4;MFCD00667775;AKOS005151491;AT37514;2-HYDROXY-3,5-DIMETHYL-BENZOIC ACID;CS-0258886;EN300-71664;Z367679358

Chemical Property of 3,5-Dimethylsalicylic acid

Chemical Property:

• Vapor Pressure: 0.000408mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 303.5 °C at 760 mmHg
• Flash Point: 151.6 °C
• PSA: 57.53000
• Density: 1.249 g/cm³
• LogP: 1.70720
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy-3,5-dimethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C(=O)O)O)C
• Uses: 2-Hydroxy-3,5-dimethylbenzoic Acid is a useful reagent for the mild synthesis of substituted salicylic acids and other heterocycles.

Technology Process of 3,5-Dimethylsalicylic acid

There total 33 articles about 3,5-Dimethylsalicylic 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: 76.0%

carbon dioxide (124-38-9,18923-20-1) + 2,4-Xylenol (105-67-9) → 3,5-dimethylsalicylic acid (6245-04-1)

Guidance literature:

2,4-Xylenol; With Mesitol; sodium hydride; In mineral oil; at 100 ℃; for 0.0833333h; Glovebox;

carbon dioxide; In mineral oil; at 185 ℃; for 2h; under 760.051 Torr;

DOI:10.1002/chem.201601114

Reference yield: 45.0%

3,5-dimethylanthranilic acid (14438-32-5) → 3,5-dimethylsalicylic acid (6245-04-1)

Guidance literature:

With uranyl acetate monohydrate; water; trifluoroacetic acid; for 84h; Irradiation; Inert atmosphere;

Reference yield:

Mesitol (527-60-6) → 3,5-dimethyl-4-hydroxybenzoic acid (4919-37-3) + 3,5-dimethylsalicylic acid (6245-04-1)

Guidance literature:

With potassium carbonate; beim Schmelzen;

upstream raw materials:

3,5-dimethylanthranilic acid

3,5-dimethyl-2-hydroxyacetophenone

Mesitol

sodium 2,4-dimethylphenolate

Downstream raw materials:

methyl 2-hydroxy-3,5-dimethylbenzoate

carbon dioxide

2,4-Xylenol

2-hydroxy-3,5-dimethyl-benzoic acid amide