3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile

Base Information

• Chemical Name: 3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile
• CAS No.: 1010798-64-7
• Molecular Formula: C8H11NO2
• Molecular Weight: 153.181
• Hs Code.: 2932999099
• Mol file: 1010798-64-7.mol

Synonyms:3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile;Tetrahydro-beta-oxo-2H-pyran-4-propanenitrile

Chemical Property of 3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile

Chemical Property:

• Boiling Point: 268.0±30.0 °C(Predicted)
• PKA: 9.20±0.20(Predicted)
• PSA: 50.09000
• Density: 1.104±0.06 g/cm3(Predicted)
• LogP: 0.89578
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile

There total 4 articles about 3-Oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile 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: 83.0%

→ 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile (1010798-64-7)

Guidance literature:

With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; at 120 ℃; for 0.166667h; Microwave irradiation; Inert atmosphere;

Reference yield: 66.0%

tetrahydropyran-4-carboxylic acid methyl ester (110238-91-0) + acetonitrile (75-05-8,26809-02-9) → 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile (1010798-64-7)

Guidance literature:

acetonitrile; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 1h;

tetrahydropyran-4-carboxylic acid methyl ester; In tetrahydrofuran; for 1h;

Reference yield:

ethyl tetrahydro-2H-pyran-4-carboxylate (96835-17-5) + acetonitrile (75-05-8,26809-02-9) → 3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanenitrile (1010798-64-7)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; for 2h;

upstream raw materials:

tetrahydropyran-4-carboxylic acid methyl ester

acetonitrile

tetrahydro-2H-pyran-4-carboxylic acid

ethyl tetrahydro-2H-pyran-4-carboxylate

Downstream raw materials:

1-phenyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-amine