1,2,3,4-Tetrahydro-2-naphthol

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-2-naphthol
• CAS No.: 530-91-6
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 29071590
• European Community (EC) Number: 208-497-8
• NSC Number: 44875,5669
• UNII: 6AE2V413JI
• DSSTox Substance ID: DTXSID60870589
• Nikkaji Number: J61.684B
• Wikidata: Q27264409
• Mol file: 530-91-6.mol

Synonyms:tetralol

Chemical Property of 1,2,3,4-Tetrahydro-2-naphthol

Chemical Property:

• Vapor Pressure: 0.00305mmHg at 25°C
• Melting Point: 15.5 °C
• Refractive Index: 1.562-1.564
• Boiling Point: 140 °C (12 mmHg)
• PKA: 15.04±0.20(Predicted)
• Flash Point: 98.4°C
• PSA: 20.23000
• Density: 1.112g/cm³
• LogP: 1.53620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%, ^*data from raw suppliers

1,2,3,4-Tetrahydronaphthalen-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C1CC2=CC=CC=C2CC1O

Technology Process of 1,2,3,4-Tetrahydro-2-naphthol

There total 83 articles about 1,2,3,4-Tetrahydro-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: 100.0%

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → 1,2,3,4-tetrahydronaphthalen-2 ol (530-91-6)

Guidance literature:

With zirconium dioxide hydrate; isopropyl alcohol; at 130 ℃; for 0.666667h;

DOI:10.1021/ol400856g

Reference yield: 96.0%

1,2-Dihydronaphthalene (447-53-0) → 1,2,3,4-tetrahydronaphthalen-2 ol (530-91-6)

Guidance literature:

With water; diphenyldisulfane; 9-(2-mesityl)-10-methylacridinium perchlorate; In acetonitrile; at 20 ℃; for 24h; regioselective reaction; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.6b03388

Reference yield: 95.0%

β-naphthol (135-19-3) → 1,2,3,4-tetrahydronaphthalen-2 ol (530-91-6)

Guidance literature:

With potassium hydroxide; samarium diiodide; In tetrahydrofuran; water; for 0.1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)73141-8

upstream raw materials:

2-bromo-1-hydroxy-1,2,3,4-tetrahydronaphthalene

β-naphthol

1,2,3,4-tetrahydronaphthalen-2-one

2,3-epoxy-1,2,3,4-tetrahydronaphthalene

Downstream raw materials:

4-nitro-benzoic acid-(1,2,3,4-tetrahydro-[2]naphthyl ester)

2-tosyloxy-1,2,3,4-tetrahydronaphthalene

3-(2-acetoxymethylphenyl)-propanal

cis-decalin

Refernces

• 1、 Ulm, Franck,Shahane, Saurabh,Truong-Phuoc, Lai,Romero, Thierry,Papaefthimiou, Vasiliki,Chessé, Matthieu,Chetcuti, Michael J.,Pham-Huu, Cuong,Michon, Christophe,Ritleng, Vincent. "Half-Sandwich Nickel(II) NHC-Picolyl Complexes as Catalysts for the Hydrosilylation of Carbonyl Compounds: Evidence for NHC-Nickel Nanoparticles under Harsh Reaction Conditions". supporting information. p. 3074 - 3082. Retrieved 2021/08/03.
• 2、 Bechthold, Elena,Gawaskar, Sandeep,Robaa, Dina,Schepmann, Dirk,Schreiber, Julian A.,Seebohm, Guiscard,Sippl, Wolfgang,Temme, Louisa,Wünsch, Bernhard. "Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds". supporting information. . Retrieved 2020/02/18.