2-Benzyl-1-naphthol

Base Information

• Chemical Name: 2-Benzyl-1-naphthol
• CAS No.: 36441-32-4
• Molecular Formula: C17H14 O
• Molecular Weight: 234.298
• Hs Code.: 2907199090
• UNII: 96251IH9OJ
• DSSTox Substance ID: DTXSID00189965
• Nikkaji Number: J89.114B
• Wikidata: Q27271842
• ChEMBL ID: CHEMBL85000
• Mol file: 36441-32-4.mol

Synonyms:2-(phenylmethyl)-1-naphthol;2-benzyl-1-naphthol;DuP 654;DuP-654;DuP654

Chemical Property of 2-Benzyl-1-naphthol

Chemical Property:

• Vapor Pressure: 2.9E-07mmHg at 25°C
• Melting Point: 73.5°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 196.3°C
• PSA: 20.23000
• Density: 1.163g/cm³
• LogP: 4.13620
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.104465066
• Heavy Atom Count: 18
• Complexity: 256

Purity/Quality:

2-BENZYL-1-NAPHTHOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=C2)O

Technology Process of 2-Benzyl-1-naphthol

There total 15 articles about 2-Benzyl-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: 90.0%

2-benzylidene-1-tetralone (6261-32-1) → 2-benzyl-1-naphthol (36441-32-4)

Guidance literature:

With rhodium(III) trichloride hydrate; In ethanol; for 24h; Reflux;

DOI:10.1016/j.bmc.2014.08.004

Reference yield: 69.0%

α-naphthol (90-15-3) + benzaldehyde (100-52-7) → 2-benzyl-1-naphthol (36441-32-4)

Guidance literature:

With [(C₆H₆)(PCy₃)(CO)RuH]⁺*BF₄^?; isopropyl alcohol; In 1,2-dichloro-ethane; at 120 ℃; for 12h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.1c06887

Reference yield: 67.0%

benzaldehyde (100-52-7) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-benzyl-1-naphthol (36441-32-4)

Guidance literature:

In tert-butyl alcohol; Product distribution; other aldehydes, other tetralones;

DOI:10.1021/jm00163a058

upstream raw materials:

2-benzylidene-1-tetralone

benzaldehyde

3,4-dihydronaphthalene-1(2H)-one

2-benzyl-1,4-dihydro-1,4-epoxynaphthalene

Downstream raw materials:

benzoic acid-(2-benzyl-[1]naphthyl ester)

1-acetoxy-2-phenylmethylnaphthalene

4-Benzoyl-2-(phenylmethyl)-1-naphthol

4-Acetyl-2-(phenylmethyl)-1-naphthol