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

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-1-naphthol
• CAS No.: 529-33-9
• Deprecated CAS: 87248-51-9
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 29062900
• European Community (EC) Number: 208-459-0
• NSC Number: 5172
• UNII: 87652943HP
• DSSTox Substance ID: DTXSID7027174
• Nikkaji Number: J6.683D
• Wikidata: Q27269799
• ChEMBL ID: CHEMBL357784
• Mol file: 529-33-9.mol

Synonyms:1,2,3,4-tetrahydro-1-naphthalenol

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

Chemical Property:

• Appearance/Colour: clear colourless to slightly brown viscous liquid
• Vapor Pressure: 0.00874mmHg at 25°C
• Melting Point: 28-32 °C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 254.8 °C at 760 mmHg
• PKA: 14.33±0.20(Predicted)
• Flash Point: 99.9 °C
• PSA: 20.23000
• Density: 1.112 g/cm³
• LogP: 2.05630
• Storage Temp.: 2-8°C
• Solubility.: 5.09g/l
• XLogP3: 1.8
• 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-Tetrahydro-1-napthol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(C2=CC=CC=C2C1)O
• Uses: 1,2,3,4-Tetrahydro-1-naphthol was used as chiral probe to examine the role of three aromatic residues in enzyme-substrate interactions at the sulfuryl acceptor binding site of aryl sulfotransferase IV enzyme.

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

There total 123 articles about 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: 91.0%

potassium trifluoro(1,2,3,4-tetrahydronaphthalen-1-yl)borate → 1,2,3,4-Tetrahydro-1-naphthol (529-33-9)

Guidance literature:

With rose bengal; triethylamine; In ethanol; at 25 ℃; for 12h; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.8b02095

Reference yield: 88.0%

tetralin (119-64-2) → 1,2,3,4-Tetrahydro-1-naphthol (529-33-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With N-hydroxyphthalimide; 1,4-diamino-2,3-dichloroanthraquinone; oxygen; In acetonitrile; at 80 ℃; for 10h; under 1875.15 - 2250.18 Torr;

DOI:10.1021/ol047749p

Reference yield: 86.0%

C10H13BO2 → 1,2,3,4-Tetrahydro-1-naphthol (529-33-9)

Guidance literature:

With rose bengal; triethylamine; In ethanol; at 25 ℃; for 12h; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.8b02095

upstream raw materials:

tetralin

1,2,3,4-tetrahydro-1-naphthyl hydroperoxide

α-naphthol

diethyl ether

Downstream raw materials:

(+/-)-phthalic acid mono-(1,2,3,4-tetrahydro-[1]naphthyl ester)

1,2-Dihydronaphthalene

bis-(1,2,3,4-tetrahydro-1-naphthyl) ether

(4ar,8ac)-decahydro-naphthalen-1t-ol