2-Isopropyl-2,3-dimethylbutyronitrile

Base Information

• Chemical Name: 2-Isopropyl-2,3-dimethylbutyronitrile
• CAS No.: 55897-64-8
• Molecular Formula: C9H17N
• Molecular Weight: 139.241
• Hs Code.: 2926909090
• European Community (EC) Number: 259-882-2
• DSSTox Substance ID: DTXSID50971296
• Nikkaji Number: J296.522D
• Wikidata: Q72485843
• Mol file: 55897-64-8.mol

Synonyms:55897-64-8;2-Isopropyl-2,3-dimethyl-butyronitrile;2-Isopropyl-2,3-dimethylbutyronitrile;2,3-Dimethyl-2-isopropylbutanenitrile;2,3-dimethyl-2-propan-2-ylbutanenitrile;2,3-dimethyl-2-(propan-2-yl)butanenitrile;EINECS 259-882-2;2,2-Di-iso-propylpropionitrile;2,2-Diisopropylpropionitrile;DIPPN;2-iso-Propyl-2,3-dimethylbutyronitrile;hexamethylenediaminecarbamate;Butanenitrile, 2,3-dimethyl-2-(1-methylethyl)-;SCHEMBL5808811;DTXSID50971296;MFCD04037010;2,2-DIISOPROPYLPROPANENITRILE,;AKOS006276737;2-Isopropyl-2,3-dimethyl- butyronitrile;AS-15514;FT-0640347;2-ISOPROPYL-2,3-DIMETHYLBUTANENITRILE;F14660;EN300-7635560

Chemical Property of 2-Isopropyl-2,3-dimethylbutyronitrile

Chemical Property:

• Boiling Point: 178.7 °C at 760 mmHg
• Flash Point: 47.1 °C
• PSA: 23.79000
• Density: 0.812 g/cm³
• LogP: 2.82828
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 139.136099547
• Heavy Atom Count: 10
• Complexity: 139

Purity/Quality:

99.9% ^*data from raw suppliers

2-Isopropyl-2,3-dimethyl-butyronitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)(C#N)C(C)C

Technology Process of 2-Isopropyl-2,3-dimethylbutyronitrile

There total 4 articles about 2-Isopropyl-2,3-dimethylbutyronitrile 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: 100.0%

3-Methyl-2-isopropylbutyronitrile (62391-96-2) + methyl iodide (74-88-4) → 2,2-diisopropylpropionitrile (55897-64-8)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; at 0 ℃; for 2h; Product distribution; effect of temp. and steric parameters on alkylation yields; further alkyl iodides;

DOI:10.1016/S0040-4020(01)93693-2

Reference yield: 90.0%

isopropyl bromide (75-26-3) + propiononitrile (107-12-0) → 2,2-diisopropylpropionitrile (55897-64-8)

Guidance literature:

With sodium amide; In tetrahydrofuran; at 0 - 5 ℃; Temperature; Inert atmosphere;

DOI:10.1080/00304948.2014.903147

Reference yield:

2-iodo-propane (75-30-9) + propiononitrile (107-12-0) → 2,2-diisopropylpropionitrile (55897-64-8)

Guidance literature:

With sodium amide; In ammonia;

DOI:10.1021/ja01489a027

upstream raw materials:

methyl bromide

3-Methyl-2-isopropylbutyronitrile

isopropyl bromide

propiononitrile

Downstream raw materials:

2,3-dimethyl-N,2-bis(propan-2-yl)butanamide

N,2,3-trimethyl-2-isopropylbutanamide

2-isopropyl-2,3-dimethyl-butyric acid amide

methyl bisulfate

Refernces

• 1、 MacPhee, John-Anthony,Dubois, Jacques-Emile. "STERIC EFFECTS IN SYSNTHESIS - STERIC LIMITS TO THE ALKYLATION OF NITRILES AND CARBOXYLIC ACIDS". . p. 775 - 778. Retrieved 2007/10/02.