3-Methoxy-2-naphthol

Base Information

• Chemical Name: 3-Methoxy-2-naphthol
• CAS No.: 18515-11-2
• Molecular Formula: C11H10 O2
• Molecular Weight: 174.199
• Hs Code.: 2909500000
• European Community (EC) Number: 625-138-4
• DSSTox Substance ID: DTXSID40171723
• Nikkaji Number: J102.464G
• Wikidata: Q83041864
• Mol file: 18515-11-2.mol

Synonyms:3-Methoxy-2-naphthol;18515-11-2;3-methoxynaphthalen-2-ol;3-Hydroxy-2-methoxynaphthalene;2-Naphthalenol, 3-methoxy-;2-Hydroxy-3-methoxynaphthalene;2-Naphthol, 3-methoxy-;3-METHOXY-2-NAPHTHOL 97;2-Methoxy-3-naphthol;3-Methoxy-2-naphthol #;3-methoxy-naphthalen-2-ol;3-Methoxy-2-naphthol, 97%;SCHEMBL6232041;BDBM36296;DTXSID40171723;MFCD00029345;AKOS009143252;CS-0044849;D97763;J-011871

Chemical Property of 3-Methoxy-2-naphthol

Chemical Property:

• Vapor Pressure: 0.000149mmHg at 25°C
• Melting Point: 107-111 °C(lit.)
• Refractive Index: 1.64
• Boiling Point: 322.4°C at 760 mmHg
• Flash Point: 194°C
• PSA: 29.46000
• Density: 1.193g/cm³
• LogP: 2.55400
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.068079557
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methoxy-2-naphthol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CC=CC=C2C=C1O
• Uses: 3-Methoxy-2-naphthol can be used in the synthesis of a naphthoate ester, which can act like dopamine D4 antagonist.

Technology Process of 3-Methoxy-2-naphthol

There total 7 articles about 3-Methoxy-2-naphthol 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: 84.0%

dimethyl sulfate (77-78-1) + 2,3-naphthalenediol (92-44-4) → 3-methoxy-2-naphthol (18515-11-2)

Guidance literature:

With potassium tert-butylate; In 2-methoxy-ethanol; at 80 ℃;

DOI:10.1016/j.bmc.2004.06.040

Reference yield: 81.0%

2,3-dimethoxynaphthalene (10103-06-7) → 3-methoxy-2-naphthol (18515-11-2) + 2,3-naphthalenediol (92-44-4)

Guidance literature:

With orcinol; Acetobacterium dehalogenans veratrol-O-demethylase; Desulfitobacterium hafniense methyltransferase dhaf4611; In aq. buffer; at 35 ℃; for 24h; pH=6.5; regioselective reaction; Inert atmosphere; Enzymatic reaction;

DOI:10.1021/acscatal.0c02790

Reference yield: 70.0%

3-methoxynaphthalen-2-ylboronic acid (104115-76-6) → 3-methoxy-2-naphthol (18515-11-2)

Guidance literature:

With oxygen; triethylamine; In acetonitrile; at 20 ℃; for 8h; under 760.051 Torr; Reagent/catalyst; Irradiation;

DOI:10.1021/jacs.0c04594

upstream raw materials:

dimethyl sulfate

2,3-naphthalenediol

C₁₁H₁₂O₃

methyl iodide

Downstream raw materials:

3,3'-dimethoxy-1,1'-binaphthyl-2,2'-diol

dimethyl 2,2'-dihydroxy-1,1'-binaphthalene-3,3'-dicarboxylate

Methyl 3'-methoxy-2,2'-dihydroxy-1,1'-binaphthalene-3-carboxylate

N-Acetyl-3,5-dinitro-L-tyrosinaethylester-3'-methoxy-2'naphthylaether