2-(Thiophen-2-yl)propanenitrile

Base Information

• Chemical Name: 2-(Thiophen-2-yl)propanenitrile
• CAS No.: 88701-59-1
• Molecular Formula: C7H7NS
• Molecular Weight: 137.205
• European Community (EC) Number: 970-742-6
• Mol file: 88701-59-1.mol

Synonyms:2-(thiophen-2-yl)propanenitrile;88701-59-1;2-thiophen-2-ylpropanenitrile;SCHEMBL9442383;AKOS010590739;CS-0262279;EN300-81979;Z803101384

Chemical Property of 2-(Thiophen-2-yl)propanenitrile

Chemical Property:

• Boiling Point: 117 °C (20 mmHg)
• PSA: 52.03000
• Density: 1.121±0.06 g/cm3(Predicted)
• LogP: 2.37518
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.02992040
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

2-(thiophen-2-yl)propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)C1=CC=CS1

Technology Process of 2-(Thiophen-2-yl)propanenitrile

There total 18 articles about 2-(Thiophen-2-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: 98.0%

2-chloro-2-(2-thienyl)ethane (28612-98-8) + trimethylsilyl cyanide (7677-24-9) → rac-2-(thiophen-2-yl)propanenitrile (88701-59-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃; for 10h; Inert atmosphere;

Reference yield: 90.0%

(thiophen-3-yl)acetonitrile (13781-53-8) + methyl iodide (74-88-4) → rac-2-(thiophen-2-yl)propanenitrile (88701-59-1)

Guidance literature:

(thiophen-3-yl)acetonitrile; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja312141b

Reference yield: 87.0%

2-cyanomethylthiophene (20893-30-5) + carbonic acid dimethyl ester (616-38-6) → rac-2-(thiophen-2-yl)propanenitrile (88701-59-1)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; at 130 ℃; for 7h;

upstream raw materials:

2-cyanomethylthiophene

2-trimethylsilyloxy-2-(2'-thiophenyl)propanenitrile

2-Acetylthiophene

(thiophen-3-yl)acetonitrile

Downstream raw materials:

tiaprofenic acid