LECANORIC ACID

Base Information

• Chemical Name: LECANORIC ACID
• CAS No.: 480-56-8
• Molecular Formula: C16H14O7
• Molecular Weight: 318.283
• NSC Number: 249981
• UNII: D0M65TKS0F
• DSSTox Substance ID: DTXSID60197384
• Nikkaji Number: J13.181D
• Wikipedia: Lecanoric_acid
• Wikidata: Q27098274
• Metabolomics Workbench ID: 27941
• ChEMBL ID: CHEMBL1451874
• Mol file: 480-56-8.mol

Synonyms:Benzoic acid, 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methyl-;

Chemical Property of LECANORIC ACID

Chemical Property:

• Appearance/Colour: colorless crystals
• Vapor Pressure: 3.03E-13mmHg at 25°C
• Melting Point: 175-176oC
• Refractive Index: 1.675
• Boiling Point: 557.1 °C at 760 mmHg
• Flash Point: 208.3 °C
• PSA: 124.29000
• Density: 1.492 g/cm³
• LogP: 2.33760
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 318.07395278
• Heavy Atom Count: 23
• Complexity: 452

Purity/Quality:

98%min ^*data from raw suppliers

Lecanoric Acid ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O

Technology Process of LECANORIC ACID

There total 9 articles about LECANORIC 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:

4-(2,4-bis-methoxycarbonyloxy-6-methyl-benzoyloxy)-2-hydroxy-6-methyl-benzoic acid → lecanoric acid (480-56-8)

Guidance literature:

With sodium hydroxide; at 20 ℃;

DOI:10.1007/BF03173889

Reference yield:

umbilicaric acid (30666-92-3) → lecanoric acid (480-56-8)

Guidance literature:

With sodium hydroxide;

DOI:10.1007/BF02665867

Reference yield:

orsellinic acid (480-64-8) → lecanoric acid (480-56-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution; acetone

2: NaOH-solution / 20 °C

With sodium hydroxide; acetone;

DOI:10.1007/BF03173889

upstream raw materials:

1-methyl-4-nitrosobenzene

umbilicaric acid

gyrophoric acid

orsellinic acid

Downstream raw materials:

methyl orsellinate

propyl 2,4-dihydroxy-6-methylbenzoate

octyl-2,4-dihydroxy-6-methyl benzoate

2,4-dihydroxy-6-methyl-benzoic acid isopentyl ester