1-Tetralone

Base Information

• Chemical Name: 1-Tetralone
• CAS No.: 529-34-0
• Deprecated CAS: 2647912-81-8
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• Hs Code.: 29143900
• European Community (EC) Number: 208-460-6,249-394-8
• NSC Number: 5171
• UNII: 6VT52A15HY
• DSSTox Substance ID: DTXSID2027175
• Nikkaji Number: J6.684B
• Wikipedia: 1-Tetralone
• Wikidata: Q522228
• ChEMBL ID: CHEMBL193373
• Mol file: 529-34-0.mol

Synonyms:1-TETRALONE;alpha-Tetralone;529-34-0;3,4-dihydronaphthalen-1(2H)-one;1,2,3,4-Tetrahydronaphthalen-1-one;3,4-Dihydro-2H-naphthalen-1-one;tetralone;3,4-Dihydro-1(2H)-naphthalenone;a-Tetralone;1-Oxotetralin;1(2H)-Naphthalenone, 3,4-dihydro-;.alpha.-Tetralone;3,4-Dihydronaphthalen-1-one;29059-07-2;MFCD00001688;NSC 5171;1,2,3,4-Tetrahydro-1-naphthalenone;ALPHA-TETRALONE-13C6;HSDB 5678;2,3,4-trihydronaphthalen-1-one;EINECS 208-460-6;BRN 0607374;UNII-6VT52A15HY;AI3-19569;6VT52A15HY;CHEMBL193373;DTXSID2027175;189811-58-3;NSC-5171;EINECS 249-394-8;4-07-00-01015 (Beilstein Handbook Reference);tetralin-1-one;alpha tetralone;alpha -tetralone;alpha-Tetralone, 97%;SCHEMBL44545;WLN: L66 BVT&J;DTXCID007175;1,2,3,4-Tetrahydronaphthalone;3,4-dihydro-2H-naphth-1-one;3,4-DIHYDRONAPHTHALENONE;NSC5171;3,4-dihydro-1(2H)naphthalenone;3,4-dihydro-1(2H)-napthalenone;1,3,4-Tetrahydronaphthalen-1-one;CS-D0598;STR03237;3,4-Dihydro-1(2H)-naphthaleneone;3,4-dihydro-1-(2h)-naphthalenone;Tox21_200446;3,4-Dihydronaphthalen-1-(2H)-one;BBL027352;BDBM50159254;STK400014;1,2,3,4-tetrahydronaphthalene-1-one;AKOS000119475;CYCLOHEXENE,1-ONE,2,3-BENZO;1,2,3,4-Tetrahydro-1-oxonaphthalene;1-Oxo-1,2,3,4-tetrahydronaphthalene;AC-6869;PB47531;NCGC00248620-01;NCGC00258000-01;CAS-529-34-0;LS-95033;SY001538;alpha-Tetralone, purum, >=96.0% (GC);FT-0608314;FT-0649303;FT-0675085;T0134;EN300-20133;P16483;2,3,4-Trihydronaphthalen-1-one;A829314;Q522228;F0001-1364;Z104477014

Chemical Property of 1-Tetralone

Chemical Property:

• Appearance/Colour: Clear amber to brown oily liquid
• Melting Point: 2-7 °C(lit.)
• Refractive Index: 1.5685
• Boiling Point: 255.8 °C at 760 mmHg
• Flash Point: 104.6 °C
• PSA: 17.07000
• Density: 1.101 g/cm³
• LogP: 2.20560
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• Water Solubility.: insoluble
• XLogP3: 2
• 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:

99% ^*data from raw suppliers

α-Tetralone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-20/22-20/21/22
• Safety Statements: 23-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: C1CC2=CC=CC=C2C(=O)C1
• Uses: 1-Tetralone is a reagent used in the synthesis of amino-pyrazolopyridines with anti-NF-κB and pro-apoptotic potential.

Technology Process of 1-Tetralone

There total 443 articles about 1-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: 98.0%

1,2-diphenylcyclopentene ozonide (73258-08-9) → 4-hydroxy-1-phenyl-butan-1-one (39755-03-8) + propiophenone (495-40-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With iron(II) sulfate; In tetrahydrofuran; water; at 20 ℃; for 16h; Product distribution; Mechanism; other ozonides; 18O-tracer exp. with ethereal oxygen labeled; reduction also in presence of 18O-labeled H₂O or D₂O;

DOI:10.1021/ja990807v

Reference yield: 81.0%

1-mesityl-5-phenyl-6,7,8-trioxabicyclo<3.2.1>octane → 4-hydroxy-1-phenyl-butan-1-one (39755-03-8) + mesitylenecarboxylic acid (480-63-7) + propiophenone (495-40-9) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0)

Guidance literature:

With iron(II) sulfate; In tetrahydrofuran; water; at 20 ℃; for 16h;

DOI:10.1021/ja990807v

Reference yield: 52.0%

tetralin (119-64-2) → 3,4-dihydronaphthalene-1(2H)-one (529-34-0) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) + [1,4]naphthoquinone (130-15-4)

Guidance literature:

With sodium ortho-iodobenzenesulfonate; Oxone; tetra(n-butyl)ammonium hydrogensulfate; In acetonitrile; at 60 ℃; for 4h;

DOI:10.1039/c0ob00722f

upstream raw materials:

pyridine

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

4-butanolide

benzene

Downstream raw materials:

N-(2-naphthyl)morpholine

5,6-dihydrobenzacridine-7-carboxylic acid

2-benzyl-1-tetralone

(E)-3,4-dihydro-2-((naphthalen-1-yl)methylene)naphthalen-1(2H)-one

Refernces

• 1、 Du, Yan xia,Lü, Xiang-fei,Li, Jun,Mele, Giuseppe,Ni, Wan-kui,Zhao, Yong-guo. "Impact of metalloporphyrin-based porous coordination polymers on catalytic activities for the oxidation of alkylbenzene". . . Retrieved 2020.
• 2、 Sket,Zupancic,Zupan. "Photochemistry of α-fluorocycloalkanones and α-bromo- α- fluorocycloalkanones". . p. 313 - 321. Retrieved 1989.
• 3、 Matsuura et al.. "-". . p. 1623. Retrieved 1962.
• 4、 Boltz,Blanc,Laugel,Pale,Louis. "Heterogenization of [Cu(2,2′-bpy)Cl2] and [Cu(1,10-phen)Cl2] on polyoxometalates: New catalysts for the selective oxidation of tetralin". . p. 807 - 811. Retrieved 2011.
• 5、 Pinto, Mara F.,Cardoso, Bernardo De P.,Barroso, Sónia,Martins, Ana M.,Royo, Beatriz. "Chelating bis-N-heterocyclic carbene complexes of iron(II) containing bipyridyl ligands as catalyst precursors for oxidation of alcohols". . p. 13541 - 13546. Retrieved 2016.
• 6、 Zhang, Wei,Nagashima, Tadamichi,Lu, Yimin,Chen, Christine Hiu-Tung. "A traceless perfluorooctylsulfonyl tag for deoxygenation of phenols under microwave irradiation". . p. 4611 - 4613. Retrieved 2004.
• 7、 Ju, Zhao-Yang,Song, Li-Na,Chong, Ming-Ben,Cheng, Dang-Guo,Hou, Yang,Zhang, Xi-Ming,Zhang, Qing-Hua,Ren, Lan-Hui. "Selective Aerobic Oxidation of Csp3-H Bonds Catalyzed by Yeast-Derived Nitrogen, Phosphorus, and Oxygen Codoped Carbon Materials". supporting information. p. 3978 - 3988. Retrieved 2022/03/16.
• 8、 Chen, Xuenian,Gao, Fan,Li, Na,Li, Shujun,Ma, Yubin,Xiao, Wanru,Yu, Bing. "Two transition-metal-modified Nb/W mixed-addendum polyoxometalates for visible-light-mediated aerobic benzylic C–H oxidations". supporting information. . Retrieved 2022/03/27.