Propanenitrile, 2,2-dimethyl-3-oxo-

Base Information

• Chemical Name: Propanenitrile, 2,2-dimethyl-3-oxo-
• CAS No.: 19295-56-8
• Molecular Formula: C5H7NO
• Molecular Weight: 97.1167
• European Community (EC) Number: 834-378-0
• DSSTox Substance ID: DTXSID30449923
• Nikkaji Number: J3.177.061K
• Wikidata: Q82269465
• Mol file: 19295-56-8.mol

Synonyms:Propanenitrile, 2,2-dimethyl-3-oxo-;19295-56-8;2,2-dimethyl-3-oxopropanenitrile;2-Cyano-2-methylpropanal;DTXSID30449923;AKOS040768508;EN300-172535

Chemical Property of Propanenitrile, 2,2-dimethyl-3-oxo-

Chemical Property:

• Boiling Point: 159.0±23.0 °C(Predicted)
• PSA: 40.86000
• Density: 0.953±0.06 g/cm3(Predicted)
• LogP: 0.73508
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 97.052763847
• Heavy Atom Count: 7
• Complexity: 117

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C=O)C#N

Technology Process of Propanenitrile, 2,2-dimethyl-3-oxo-

There total 2 articles about Propanenitrile, 2,2-dimethyl-3-oxo- 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:

methacrylonitrile (126-98-7,25067-61-2) → 2,2-dimethyl-3-oxopropanenitrile (19295-56-8) + Isobutyronitrile (78-82-0) + 3-hydroxy-2,2-dimethylpropionitrile (19295-57-9)

Guidance literature:

With di(rhodium)tetracarbonyl dichloride; carbon monoxide; hydrogen; triethylamine; In toluene; at 130 ℃; for 63h; under 121600 Torr; Yield given. Yields of byproduct given;

DOI:10.1016/0022-328X(90)85478-H

Reference yield:

carbon monoxide (201230-82-2) + methacrylonitrile (126-98-7,25067-61-2) → 2,2-dimethyl-3-oxopropanenitrile (19295-56-8) + Isobutyronitrile (78-82-0) + 3-hydroxy-2,2-dimethylpropionitrile (19295-57-9)

Guidance literature:

With di(rhodium)tetracarbonyl dichloride; hydrogen; triethylamine; In toluene; at 130 ℃; for 63h; under 121600 Torr; Yield given. Yields of byproduct given;

DOI:10.1016/0022-328X(90)85478-H

Reference yield:

2,2-dimethyl-3-oxopropanenitrile (19295-56-8) → 2,2-dimethylmalononitrile (7321-55-3)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol; water; hydrogenchloride / 1 h / 55 °C

2: tetrabutyl ammonium fluoride / dimethyl sulfoxide / 0.25 h / 25 °C

With hydrogenchloride; methanol; tetrabutyl ammonium fluoride; water; In dimethyl sulfoxide;

DOI:10.1002/chem.201204235

upstream raw materials:

carbon monoxide

methacrylonitrile

Downstream raw materials:

N⁴-phenoxyacetyl-2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)cytidine

N⁶-phenoxyacetyl-2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)adenosine

N²-phenoxyacetyl-2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)guanosine

5’-O-(4,4’-dimethoxytrityl)-2’-O-(2-cyano-2,2-dimethylethanimine-N-oxymethyl)uridine

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