2-Tetralone

Base Information

• Chemical Name: 2-Tetralone
• CAS No.: 530-93-8
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• Hs Code.: 29143900
• European Community (EC) Number: 208-498-3
• NSC Number: 87083
• UNII: K46ZZ833BH
• DSSTox Substance ID: DTXSID0060193
• Nikkaji Number: J6.975B
• Wikipedia: 2-Tetralone
• Wikidata: Q18345163
• ChEMBL ID: CHEMBL191664
• Mol file: 530-93-8.mol

Synonyms:3,4-dihydro-2(1H)-naphthalenone;beta-tetralone

Chemical Property of 2-Tetralone

Chemical Property:

• Appearance/Colour: clear to yellow liquid
• Vapor Pressure: 0.0459mmHg at 25°C
• Melting Point: 18 °C(lit.)
• Refractive Index: 1.561 - 1.563
• Boiling Point: 237 °C at 760 mmHg
• Flash Point: 113.4 °C
• PSA: 17.07000
• Density: 1.101 g/cm³
• LogP: 1.74440
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: insoluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

98%, ^*data from raw suppliers

β-Tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2CC1=O
• Uses: β-Tetralone is the 2-keto derivative of Tetralin. β-Tetralone was initially reported to be a metabolite of Tetralin but was later found to be just an artifact in the metabolism process. β-Tetralone is known to be biological marker in fossil fuels.

Technology Process of 2-Tetralone

There total 107 articles about 2-Tetralone 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: 97.0%

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

Guidance literature:

With [Cp*Ru(μ-Cl)3RuCl(PPh3)2]; potassium carbonate; In dichloromethane; butanone; Heating;

Reference yield: 92.0%

1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene (2461-34-9) → 1,2,3,4-tetrahydronaphthalen-2-one (530-93-8)

Guidance literature:

With Dowex-50W; In water; for 0.5h; Heating;

Reference yield: 83.0%

1,2-Dihydronaphthalene (447-53-0) → 1,2,3,4-tetrahydronaphthalen-2-one (530-93-8)

Guidance literature:

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

DOI:10.1021/jacs.6b07411

upstream raw materials:

pyridine

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

quinoline

1,2,3,4-tetrahydronaphthalene-2,3-chlorohydrin

Downstream raw materials:

1-phenethyl-3,4-dihydro-1H-naphthalen-2-one

1-(2-benzyloxy-ethyl)-3,4-dihydro-1H-naphthalen-2-one

7H-dibenzo[c,g]carbazole

1-methyl-2-tetralone

Refernces

• 1、 Wu, Zhao,Xu, Xiaolong,Wang, Jianchun,Dong, Guangbin. "Carbonyl 1,2-transposition through triflate-mediated a-amination". . p. 734 - 740. Retrieved 2021/11/16.
• 2、 Chen, Mengke,Deng, Youer,Fu, Zaihui,Hu, Wenwei,Jiang, Dabo,Liu, Yachun,Mao, Feng,Su, Anqun,Yang, Bo,Zhang, Chao. "9,10-Dihydroanthracene auto-photooxidation efficiently triggered photo-catalytic oxidation of organic compounds by molecular oxygen under visible light". . . Retrieved 2020/08/11.