Methyl 3,5-dihydroxy-2-naphthoate

Base Information

• Chemical Name: Methyl 3,5-dihydroxy-2-naphthoate
• CAS No.: 185989-39-3
• Molecular Formula: C12H10O4
• Molecular Weight: 218.209
• ChEMBL ID: CHEMBL145578
• DSSTox Substance ID: DTXSID60471737
• Nikkaji Number: J1.267.053B
• Wikidata: Q82300386
• Mol file: 185989-39-3.mol

Synonyms:185989-39-3;Methyl 3,5-dihydroxy-2-naphthoate;Methyl 3,5-dihydroxynaphthalene-2-carboxylate;2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester;MFCD24713663;CHEMBL145578;SCHEMBL2239095;DTXSID60471737;ARAZFUMSUAUJRS-UHFFFAOYSA-N;Methyl3,5-dihydroxy-2-naphthoate;AKOS030628205;AS-70630;SY269452;W12573

Chemical Property of Methyl 3,5-dihydroxy-2-naphthoate

Chemical Property:

• PSA: 66.76000
• LogP: 2.03760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 218.05790880
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C2C(=C1)C=CC=C2O)O

Technology Process of Methyl 3,5-dihydroxy-2-naphthoate

There total 3 articles about Methyl 3,5-dihydroxy-2-naphthoate 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: 99.0%

methanol (67-56-1) + 3,5-dihydroxy-2-naphthoic acid (89-35-0) → methyl 3,5-dihydroxy-2-naphthoate (185989-39-3)

Guidance literature:

With sulfuric acid; for 36h; Reflux; Inert atmosphere;

DOI:10.1021/ol3001365

Reference yield: 96.0%

CH(OMe)3 + 3,5-dihydroxy-2-naphthoic acid (89-35-0) → methyl 3,5-dihydroxy-2-naphthoate (185989-39-3)

Guidance literature:

With TSOH; sulfuric acid; In methanol;

Reference yield:

7-{17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxycarbonyloxy}-2-phenyl-2-(4-pyrrolidin-1-yl-phenyl)-6-methoxycarbonyl-2H-benzo[b]pyran. + Cholesteryl chloroformate (7144-08-3) → methyl 3,5-dihydroxy-2-naphthoate (185989-39-3)

Guidance literature:

upstream raw materials:

methanol

3,5-dihydroxy-2-naphthoic acid

Cholesteryl chloroformate

Downstream raw materials:

methyl 5-hydroxy-3-methoxy-2-naphthoate

C₁₇H₁₂O₆

C₁₂H₁₀O₇

methyl 5-(benzyloxy)-3-hydroxy-2-naphthoate