2,3-Dihydroxy-4-(1-methylethyl)benzoic acid

Base Information

• Chemical Name: 2,3-Dihydroxy-4-(1-methylethyl)benzoic acid
• CAS No.: 19420-61-2
• Molecular Formula: C₁₀H₁₂O₄
• Molecular Weight: 196.203
• DSSTox Substance ID: DTXSID70941138
• Nikkaji Number: J1.608.435B
• Wikidata: Q27102045
• Metabolomics Workbench ID: 50612
• Mol file: 19420-61-2.mol

Synonyms:2,3-dihydroxy-p-cumic acid;19420-61-2;4-isopropyl-o-Pyrocatechuic acid;2,3-DIHYDROXY-4-(1-METHYLETHYL)BENZOIC ACID;2,3-dihydroxy-4-(propan-2-yl)benzoic acid;2,3-dihydroxy-4-isopropylbenzoic acid;C06580;SCHEMBL2934039;CHEBI:16725;DTXSID70941138;Q27102045

Chemical Property of 2,3-Dihydroxy-4-(1-methylethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 6.24E-06mmHg at 25°C
• Boiling Point: 363.8°Cat760mmHg
• Flash Point: 188°C
• Density: 1.317g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=C(C=C1)C(=O)O)O)O

Technology Process of 2,3-Dihydroxy-4-(1-methylethyl)benzoic acid

There total 3 articles about 2,3-Dihydroxy-4-(1-methylethyl)benzoic 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:

2,3-dimethoxy-4-isopropyl benzoic acid (5653-55-4) → 2,3-dihydroxy-4-isopropyl-benzoic acid (19420-61-2)

Guidance literature:

With hydrogen bromide;

DOI:10.1021/ja01874a037

Reference yield:

3-Isopropyl-veratrol (71720-27-9) → 2,3-dihydroxy-4-isopropyl-benzoic acid (19420-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: butyl lithium; benzene / anschliessendes Behandeln mit festem Kohlendioxid

2: aqueous hydrobromic acid

With n-butyllithium; hydrogen bromide; benzene;

DOI:10.1021/ja01874a037

Reference yield:

→ 2,3-dihydroxy-4-isopropyl-benzoic acid (19420-61-2)

Guidance literature:

p-Cymen, Pseudomonaden;

upstream raw materials:

2,3-dimethoxy-4-isopropyl benzoic acid

3-Isopropyl-veratrol