2,4-Dihydroxy-6-propylbenzoic acid

Base Information

• Chemical Name: 2,4-Dihydroxy-6-propylbenzoic acid
• CAS No.: 4707-50-0
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• DSSTox Substance ID: DTXSID20197022
• Nikkaji Number: J12.777I
• Wikidata: Q83070002
• Metabolomics Workbench ID: 133179
• ChEMBL ID: CHEMBL3770020
• Mol file: 4707-50-0.mol

Synonyms:2,4-DIHYDROXY-6-PROPYLBENZOIC ACID;4707-50-0;DIVARIC ACID;CHEMBL3770020;Benzoic acid, 2,4-dihydroxy-6-propyl-;Divarinic Acid;SCHEMBL2559667;DTXSID20197022;CHEBI:144145;BDBM50268485;MFCD20638461;2,4-Dihydroxy-6-propyl-benzoic acid;2,4-dihy-droxy-6-propyl benzoic acid;Benzoic acid,2,4-dihydroxy-6-propyl-;EN300-6731369;A936690;A1-02509;Z1262512063

Chemical Property of 2,4-Dihydroxy-6-propylbenzoic acid

Chemical Property:

• Vapor Pressure: 1.21E-06mmHg at 25°C
• Melting Point: 169 °C (decomp)
• Refractive Index: 1.606
• Boiling Point: 385.8 °C at 760 mmHg
• PKA: 3.41±0.34(Predicted)
• Flash Point: 201.3 °C
• PSA: 77.76000
• Density: 1.324 g/cm³
• LogP: 1.74850
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

DivarinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(C(=CC(=C1)O)O)C(=O)O
• Uses: Divarinic Acid is an antibacterial compound that strongly inhibits bacterial growth of Bacillus subtilis, Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.

Technology Process of 2,4-Dihydroxy-6-propylbenzoic acid

There total 14 articles about 2,4-Dihydroxy-6-propylbenzoic 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:

5-propyl-4-(piperazine-1-carbonyl)-1,3-diol → 2,4-dihydroxy-6-propylbenzoic acid (4707-50-0)

Guidance literature:

With potassium tert-butylate; In water; at 20 ℃;

Reference yield:

divaricatic acid (491-62-3) → 2,4-dihydroxy-6-propylbenzoic acid (4707-50-0)

Guidance literature:

With potassium hydroxide;

Reference yield:

5-Chlorodivaricatsaeure (74927-43-8) → 2,4-dihydroxy-6-propylbenzoic acid (4707-50-0) + 5-Chlordivaricatinsaeure

Guidance literature:

With sulfuric acid; at 0 ℃; for 0.25h;

DOI:10.1016/0031-9422(80)87031-2

upstream raw materials:

divaricatic acid

2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyloxy)-6-propyl-benzoic acid

3,5-dibromo-2,4-dihydroxy-6-propyl-benzoic acid

carbon dioxide

Downstream raw materials:

2,4-dihydroxy-6-n-propylbenzoic acid, methyl ester

2,4-dihydroxy-6-propylbenzoic acid ethyl ester

5-propyl-1,3-benzenediol

Refernces