1-(Tetrahydro-2H-pyran-4-yl)ethanone

Base Information

• Chemical Name: 1-(Tetrahydro-2H-pyran-4-yl)ethanone
• CAS No.: 137052-08-5
• Molecular Formula: C7H12O2
• Molecular Weight: 128.171
• Hs Code.: 2932999099
• European Community (EC) Number: 809-972-8,947-485-3
• DSSTox Substance ID: DTXSID40432149
• Nikkaji Number: J1.411.582J
• Wikidata: Q72506659
• Mol file: 137052-08-5.mol

Synonyms:1-(Tetrahydro-2H-pyran-4-yl)ethanone;137052-08-5;1-(oxan-4-yl)ethanone;1-(oxan-4-yl)ethan-1-one;4-acetyltetrahydropyran;1-(Tetrahydro-pyran-4-yl)-ethanone;1-tetrahydro-2H-pyran-4-ylethanone;1-tetrahydropyran-4-ylethanone;Ethanone, 1-(tetrahydro-2H-pyran-4-yl)-;MFCD08704647;4-acetyltetrahydro-4H-pyran;1-(4-oxanyl)ethanone;SCHEMBL8950;4-Acetyltetrahydro-2H-pyran;DTXSID40432149;VNMXIOWPBADSIC-UHFFFAOYSA-N;Tetrahydro-2H-pyran-4-yl)ethanone;BCP21783;CS-D1226;BBL102180;STL555979;AKOS013218199;SB33099;AM803183;SY023117;TS-01682;FT-0688212;EN300-84148;A807178;1-(Tetrahydro-2H-pyran-4-yl)ethanone, AldrichCPR;W-205494;4-Acetyltetrahydropyran pound>>1-(Oxan-4-yl)ethanone;Z1178490124

Chemical Property of 1-(Tetrahydro-2H-pyran-4-yl)ethanone

Chemical Property:

• Vapor Pressure: 0.381mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 197.304 °C at 760 mmHg
• Flash Point: 75.121 °C
• PSA: 26.30000
• Density: 0.996 g/cm³
• LogP: 1.00200
• Storage Temp.: -20°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.083729621
• Heavy Atom Count: 9
• Complexity: 104

Purity/Quality:

98%, ^*data from raw suppliers

1-(Tetrahydro-2H-pyran-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42-36
• Safety Statements: 22-45-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCOCC1

Technology Process of 1-(Tetrahydro-2H-pyran-4-yl)ethanone

There total 11 articles about 1-(Tetrahydro-2H-pyran-4-yl)ethanone 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: 96.0%

methyl 4-acetyl-tetrahydro-2H-pyran-4-carboxylate (345216-96-8) → 1-(tetrahydro-2H-pyran-4-yl)ethan-1-one (137052-08-5)

Guidance literature:

With sulfuric acid; water; at 120 ℃; for 1.5h; Product distribution / selectivity;

Reference yield: 81.0%

N-methoxy-N-methyltetrahydro-2H-pyran-4-carboxamide (156353-01-4) + methylmagnesium bromide (75-16-1) → 1-(tetrahydro-2H-pyran-4-yl)ethan-1-one (137052-08-5)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -60 - 0 ℃; for 6h;

Reference yield:

N-methoxy-N-methyltetrahydro-2H-pyran-4-carboxamide (156353-01-4) + methylmagnesium chloride (676-58-4) → 1-(tetrahydro-2H-pyran-4-yl)ethan-1-one (137052-08-5)

Guidance literature:

N-methoxy-N-methyltetrahydro-2H-pyran-4-carboxamide; methylmagnesium chloride; In tetrahydrofuran; at 7 ℃;

With ammonium chloride; In tetrahydrofuran; water;

upstream raw materials:

tetrahydro-2H-pyran-4-carbonylchloride

methylzinc iodide

tetrahydro-2H-pyran-4-carbonitrile

methyl 4-acetyl-tetrahydro-2H-pyran-4-carboxylate

Downstream raw materials:

1-(tetrahydro-2H-pyran-4-yl)ethanamine

3-oxo-3-(tetrahydropyran-4-yl)propionic acid methyl ester

3-oxo-3-(tetrahydropyran-4-yl)propionic acid ethyl ester

4-(1-(2-pyrrolidin-1-yl-ethyl)-4-(tetrahydro-pyran-4-yl)-1H-imidazol-2-yl)-piperidine