Quinolin-8-ylacetonitrile

Base Information

• Chemical Name: Quinolin-8-ylacetonitrile
• CAS No.: 66819-06-5
• Molecular Formula: C11H8N2
• Molecular Weight: 168.19500
• Hs Code.: 2933499090
• European Community (EC) Number: 893-084-0
• DSSTox Substance ID: DTXSID10496718
• Wikidata: Q82345763
• Mol file: 66819-06-5.mol

Synonyms:quinolin-8-ylacetonitrile;66819-06-5;2-(QUINOLIN-8-YL)ACETONITRILE;2-quinolin-8-ylacetonitrile;(QUINOLIN-8-YL)ACETONITRILE;8-quinolylacetonitrile;DTXSID10496718;AKOS009102888;SB67634;FT-0693912;EN300-25587;Z212044052

Chemical Property of Quinolin-8-ylacetonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 86-87 °C
• Boiling Point: 350.523oC at 760 mmHg
• PKA: 3.85±0.17(Predicted)
• Flash Point: 121.995oC
• PSA: 36.68000
• Density: 1.176g/cm3
• LogP: 2.30088
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

2-(Quinolin-8-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)CC#N)N=CC=C2

Technology Process of Quinolin-8-ylacetonitrile

There total 3 articles about Quinolin-8-ylacetonitrile 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:

8-bromomethyl-quinoline (7496-46-0) + potassium cyanide (151-50-8) → [8]quinolyl-acetonitrile (66819-06-5)

Guidance literature:

With ethanol;

DOI:10.1021/ja01189a002

Reference yield:

8-methyl-quinoline; perbromide → [8]quinolyl-acetonitrile (66819-06-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 180 °C / anschliessend Erhitzen mit konz. Salzsaeure auf 150grad

2: alcohol

With ethanol;

Reference yield:

8-chloromethyl-quinoline (94127-04-5) + potassium cyanide (151-50-8) → [8]quinolyl-acetonitrile (66819-06-5)

Guidance literature:

With ethanol;

upstream raw materials:

8-chloromethyl-quinoline

potassium cyanide

8-bromomethyl-quinoline

Downstream raw materials:

2-(quinolin-8-yl)acetic acid

[8]quinolyl-acetic acid amide