(1-Methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile

Base Information

• Chemical Name: (1-Methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile
• CAS No.: 16759-05-0
• Molecular Formula: C₁₈H₁₆N₂
• Molecular Weight: 260.338
• NSC Number: 94831
• DSSTox Substance ID: DTXSID30937355
• Mol file: 16759-05-0.mol

Synonyms:16759-05-0;2-(1-Methyl-1,4-dihydroquinolin-4-yl)-2-phenylacetonitrile;(1-methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile;NSC94831;NCIOpen2_006204;DTXSID30937355;NSC-94831

Chemical Property of (1-Methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile

Chemical Property:

• Vapor Pressure: 7.22E-07mmHg at 25°C
• Boiling Point: 408°C at 760 mmHg
• Flash Point: 175.6°C
• Density: 1.134g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.131348519
• Heavy Atom Count: 20
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC(C2=CC=CC=C21)C(C#N)C3=CC=CC=C3

Technology Process of (1-Methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile

There total 2 articles about (1-Methyl-1,4-dihydroquinolin-4-yl)(phenyl)acetonitrile 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:

phenylacetonitrile (140-29-4) + N-methylquinolinium iodide (3947-76-0) → (1-methyl-1,4-dihydro-quinolin-4-yl)-phenyl-acetonitrile (16759-05-0)

Guidance literature:

With ethanol; sodium ethanolate;

DOI:10.1021/ja01134a060

Reference yield:

ethanol (64-17-5) + sodium ethanolate (141-52-6) + phenylacetonitrile (140-29-4) + N-methylquinolinium iodide (3947-76-0) → (1-methyl-1,4-dihydro-quinolin-4-yl)-phenyl-acetonitrile (16759-05-0)

Guidance literature:

DOI:10.1021/ja01134a060

Reference yield:

(1-methyl-1,4-dihydro-quinolin-4-yl)-phenyl-acetonitrile (16759-05-0) → (1-methyl-1,4-dihydro-[4]quinolyl)-phenyl-acetic acid amide (860717-59-5)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01134a060

upstream raw materials:

ethanol

sodium ethanolate

phenylacetonitrile

N-methylquinolinium iodide

Downstream raw materials:

2-(1-methyl-1,4-dihydro-quinolin-4-yl)-2-phenyl-propionitrile

(1-methyl-1,4-dihydro-[4]quinolyl)-phenyl-acetic acid amide

(1-methyl-1,2,3,4-tetrahydro-[4]quinolyl)-phenyl-acetic acid amide