2-Isopropyl-2-phenylacetonitrile

Base Information

• Chemical Name: 2-Isopropyl-2-phenylacetonitrile
• CAS No.: 5558-29-2
• Molecular Formula: C11H13 N
• Molecular Weight: 159.231
• Hs Code.: 2926907090
• Mol file: 5558-29-2.mol

Synonyms:Butyronitrile,3-methyl-2-phenyl- (6CI,7CI,8CI);1-Cyano-2-methyl-1-phenylpropane;2-Phenyl-3-methylbutyronitrile;3-Methyl-2-phenylbutyronitrile;NSC 68330;a-(1-Methylethyl)benzeneacetonitrile;a-Isopropylbenzyl cyanide;a-Phenylisovaleronitrile;

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Chemical Property of 2-Isopropyl-2-phenylacetonitrile

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Refractive Index: 1.5050
• Boiling Point: 248.5°Cat760mmHg
• Flash Point: 107.3°C
• PSA: 23.79000
• Density: 0.957g/cm³
• LogP: 2.94978
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methyl-2-phenylbutanenitrile is used as a reagent in the synthesis of disubstituted aminopiperidines as calcium channel blockers which are active on pain and neuropathic pain. 3-Methyl-2-phenylbutanenitrile is also used as a reagent in the synthesis of (methylethyl)(oxopropyl)benzeneacetonitrile and noremopamil enantiomers.

Technology Process of 2-Isopropyl-2-phenylacetonitrile

There total 20 articles about 2-Isopropyl-2-phenylacetonitrile 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: 93.0%

phenylacetonitrile (140-29-4) + isopropyl bromide (75-26-3) → 3-methyl-2-phenyl-butyronitrile (5558-29-2)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; at 45 ℃; for 3.5h;

DOI:10.1016/j.tetlet.2006.03.176

Reference yield: 91.0%

2-iodo-propane (75-30-9) + phenylacetonitrile (140-29-4) → 3-methyl-2-phenyl-butyronitrile (5558-29-2)

Guidance literature:

phenylacetonitrile; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

2-iodo-propane; In tetrahydrofuran; for 1h; Inert atmosphere;

DOI:10.1021/jacs.5b02810

Reference yield: 86.0%

phenylacetonitrile (140-29-4) + isopropyl alcohol (67-63-0,8013-70-5) → 3-methyl-2-phenyl-butyronitrile (5558-29-2)

Guidance literature:

With potassium tert-butylate; cobalt(II) chloride; 1,2-bis-[(2,6-diisopropylphenyl)imino]acenaphthene; In toluene; at 150 ℃; for 36h; chemoselective reaction; Green chemistry;

DOI:10.1021/acs.organomet.1c00690

upstream raw materials:

phenylacetonitrile

isopropyl bromide

ethyl 2-cyano-3-methyl-2-phenylbutanoate

iodobenzene

Downstream raw materials:

(±)-3-methyl-2-phenylbutyramide

3-methyl-2-phenylbutyric acid

2-isopropyl-3-methyl-2-phenyl-4-piperidino-butyronitrile

2,2-diphenyl-3-methylbutanenitrile