Sparassol

Base Information

• Chemical Name: Sparassol
• CAS No.: 520-43-4
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• UNII: 49LGW9K0EH
• DSSTox Substance ID: DTXSID901028412
• Nikkaji Number: J6.602H
• Wikipedia: Sparassol
• Wikidata: Q15427855
• Metabolomics Workbench ID: 123688
• ChEMBL ID: CHEMBL1595401
• Mol file: 520-43-4.mol

Synonyms:methyl 2-hydroxy-4-methoxy-6-methylbenzoate

Chemical Property of Sparassol

Chemical Property:

• Vapor Pressure: 0.000548mmHg at 25°C
• Melting Point: 67-68°; mp 170°
• Boiling Point: 302.6°Cat760mmHg
• PKA: 9.49±0.15(Predicted)
• Flash Point: 116.4°C
• PSA: 55.76000
• Density: 1.181g/cm³
• LogP: 1.49580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

METHYL 2-HYDROXY-4-METHOXY-6-METHYLBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C(=O)OC)O)OC

Technology Process of Sparassol

There total 32 articles about Sparassol 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: 98.0%

methanol (67-56-1) + methyl orsellinate (3187-58-4) → 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester (520-43-4)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate;

DOI:10.1016/j.bmcl.2009.08.096

Reference yield: 90.0%

methyl 2,4-dimethoxy-6-methylbenzoate (6110-37-8) → 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester (520-43-4)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2.5h; Heating;

DOI:10.1080/00397919308011118

Reference yield: 70.0%

methanol (67-56-1) + C9H8O3 → 2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester (520-43-4)

Guidance literature:

In neat (no solvent); for 24h; UV-irradiation;

DOI:10.1002/hlca.202100189

upstream raw materials:

diazomethane

diethyl ether

orsellinic acid

methyl orsellinate

Downstream raw materials:

methyl 2,4-dimethoxy-6-methylbenzoate

2,4-dimethoxy-6-methylbenzoic acid

formyl-3-hydroxy-2-methoxy-4-methyl-6-benzoate de methyle

formyl-3-hydroxy-6-methoxy-4-methyl-2-benzoate de methyle

Refernces

• 1、 Arnone, Alberto,Cardillo, Rosanna,Nasini, Gianluca. "STRUCTURES OF MELLEOLIDES B-D, THREE ANTIBACTERIAL SESQUITERPENOIDS FROM ARMILLARIA MELLEA". . p. 471 - 474. Retrieved 1986.
• 2、 -. "Cajan element structure and methods in the application of preparing antibacterial drug". Paragraph 0140-0142. . Retrieved 2018/02/04.
• 3、 Sudarshan, Kasireddy,Manna, Manash Kumar,Aidhen, Indrapal Singh. "Synthesis of 3-arylisocoumarins by using acyl anion chemistry and synthesis of thunberginol A and cajanolactone A". . p. 1797 - 1803. Retrieved 2015/05/27.