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
• General Description: 1-Tetralone (also known as 3,4-dihydro-1(2H)-naphthalenone or alpha-tetralone) is a cyclic ketone that serves as a key intermediate in organic synthesis. It can be synthesized via the oxidation of tetralins using Cr(VI) reagents like Jones reagent, though this method may lack selectivity compared to alternatives such as BiPCC. Additionally, 1-tetralone derivatives are accessible through enantioselective protonation of silyl enolates catalyzed by cinchona alkaloids, enabling the formation of chiral tertiary carbon centers. 1-Tetralone is also relevant in Wolff-Kishner reductions, where it can be deoxygenated to form alkanes under continuous flow conditions, offering improved safety and scalability over traditional batch methods.

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

1-(1-oxo-1,2,3,4-tetrahydro-[2]naphthyl)-pyridinium; iodide

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

5,6-dihydrobenzacridine-7-carboxylic acid

Refernces

Straightforward organocatalytic enantioselective protonation of silyl enolates by means of cinchona alkaloids and carboxylic acids

10.1055/s-2008-1078260

The research focuses on the development of an organocatalytic enantioselective protonation method for silyl enolates using cinchona alkaloids and carboxylic acids as a chiral proton source. The experiments involved the protonation of various silyl enolates with different carboxylic acids under optimized conditions, using (DHQ)2AQN as the catalyst. The reactants included silyl enolates derived from tetralone and indanone series, along with cinchona alkaloids and carboxylic acids such as citric acid. The analyses used to determine the success of the reactions included gas chromatography (GC) for conversion monitoring, high-performance liquid chromatography (HPLC) for enantioselectivity (ee) determination, and nuclear magnetic resonance (NMR) spectroscopy for the characterization of the synthesized compounds. The study aimed to achieve high yields and enantioselectivities for the production of ketones with a tertiary stereogenic carbon center, with the goal of developing a more straightforward, atom-economic, and operationally simple method compared to existing protocols.

Scalable Wolff-Kishner Reductions in Extreme Process Windows Using a Silicon Carbide Flow Reactor

10.1021/acs.oprd.9b00336

The research focuses on developing a safe and scalable continuous flow methodology for Wolff-Kishner reductions, a chemical process used to convert aldehydes and ketones into alkanes by deoxygenation. The purpose of this study was to address the safety and scalability concerns associated with the traditional batch process, which involves the use of hazardous hydrazine hydrate and caustic bases under harsh conditions. The chemicals used in the process include α-tetralone, NaOH, N2H4?H2O (hydrazine hydrate), and methanol.

Chromic Acid Oxidation of Indans and Tetralins to 1-Inadanones and 1-Tetralones Using Jones and Other Cr(VI) Reagents

10.1021/jo00214a007

The research investigates the oxidation of indans and tetralins to 1-indanones and 1-tetralones using Jones chromic acid and other Cr(VI) reagents. The study explores the effectiveness of the Jones reagent in oxidizing hydrocarbons at benzylic positions, comparing it with other Cr(VI) reagents like 2,2'-bipyridinium chlorochromate (BiPCC) and CrO3 in acetic acid. It was found that while the Jones reagent provides high yields of sterically hindered monoketones, it is less selective compared to other reagents. The research also examines the impact of various parameters on the oxidation process, including the use of different acids and solvents, the effect of excess sulfuric acid, and the role of drying agents like anhydrous magnesium sulfate and oven-dried silica gel in improving yield and reaction efficiency. Additionally, the stability of 1-tetralone under Jones oxidation conditions and the consumption of Cr(VI) and formation of acetic acid during the process were studied.

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