5-Methoxy-1,2,3,4-tetrahydro-1-naphthol

Base Information

• Chemical Name: 5-Methoxy-1,2,3,4-tetrahydro-1-naphthol
• CAS No.: 61982-91-0
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2909499000
• European Community (EC) Number: 660-924-0
• DSSTox Substance ID: DTXSID80403252
• Nikkaji Number: J2.270.712D
• Mol file: 61982-91-0.mol

Synonyms:5-METHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHOL;61982-91-0;5-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;5-Methoxytetralin-1-ol;SCHEMBL2818908;DTXSID80403252;KEHUANDJKBFXBA-UHFFFAOYSA-N;MFCD00155180;AKOS009236702;CS-0303257;EN300-718018;N14447;5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ol

Chemical Property of 5-Methoxy-1,2,3,4-tetrahydro-1-naphthol

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Boiling Point: 324.4°C at 760 mmHg
• Flash Point: 149.4°C
• PSA: 29.46000
• Density: 1.133g/cm³
• LogP: 2.06490
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

5-METHOXY-1,2,3,4-TETRAHYDRO-1-NAPHTHOL AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC2=C1CCCC2O

Technology Process of 5-Methoxy-1,2,3,4-tetrahydro-1-naphthol

There total 2 articles about 5-Methoxy-1,2,3,4-tetrahydro-1-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:

1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene (40771-26-4) + phenyltrimethylammonium chloride (138-24-9) → 1,2,3,4-tetrahydro-5-methoxynaphthalen-1-ol (61982-91-0) + N,N-dimethyl-aniline (121-69-7,77733-26-7)

Guidance literature:

With caesium carbonate; In toluene; for 8h; Heating;

DOI:10.3891/acta.chem.scand.51-0343

Reference yield:

5-Methoxy-1-tetralone (33892-75-0) + 5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane (5123-13-7) → 5-methoxynaphthalen-1-ol (3588-80-5) + C17H18O2 (1207607-28-0) + 1,2,3,4-tetrahydro-5-methoxynaphthalen-1-ol (61982-91-0)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; cesium fluoride; In toluene; at 100 ℃; Inert atmosphere;

DOI:10.1021/ol9017613

Reference yield: 90.0%

1,2,3,4-tetrahydro-5-methoxynaphthalen-1-ol (61982-91-0) → 8-Methoxy-1,2-dihydronaphthalene (60573-59-3)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 70 ℃; for 6h;

DOI:10.1021/jo800558c

upstream raw materials:

1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene

phenyltrimethylammonium chloride

5-Methoxy-1-tetralone

5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

Downstream raw materials:

8-Methoxy-1,2-dihydronaphthalene

1-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalene

1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene

1,2,3,4-tetrahydro-1,5-dihydroxy-naphthalene

Refernces

• 1、 Carlsen, Per H.J.,Liberkova, Katerina,Harrex, Rachel,Roe, Johan. "O-methylation with phenyltrimethylammonium chloride". . p. 343 - 344. Retrieved 2007/10/03.