4-Propylbenzonitrile

Base Information

• Chemical Name: 4-Propylbenzonitrile
• CAS No.: 60484-66-4
• Molecular Formula: C10H11N
• Molecular Weight: 145.204
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40509668
• Nikkaji Number: J30.852H
• Wikidata: Q82367421
• Mol file: 60484-66-4.mol

Synonyms:4-Propylbenzonitrile;60484-66-4;4-n-Propylbenzonitrile;SCHEMBL885099;DTXSID40509668;MFCD00799349;AKOS022173979;CS-0377315;FT-0640694

Chemical Property of 4-Propylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.0309mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 244.1°C at 760 mmHg
• Flash Point: 101.4°C
• PSA: 23.79000
• Density: 0.97g/cm³
• LogP: 2.51078
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 145.089149355
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

4-N-PROPYLBENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C#N

Technology Process of 4-Propylbenzonitrile

There total 8 articles about 4-Propylbenzonitrile 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: 94.0%

4-n-propylbenzaldehyde (28785-06-0) → p-n-propylbenzonitrile (60484-66-4)

Guidance literature:

With ferric(III) bromide; trimethylsilylazide; In acetonitrile; at 60 ℃; for 4h;

DOI:10.1021/acscatal.1c00733

Reference yield: 91.0%

(E/Z)-4-(prop-1-en-1-yl)benzonitrile (140675-27-0) → p-n-propylbenzonitrile (60484-66-4)

Guidance literature:

With sodium hydrogen telluride; In ethanol; Heating; overnight;

DOI:10.1016/S0040-4020(01)87834-0

Reference yield: 40.0%

ethyl bromide (74-96-4) + para-methylbenzonitrile (104-85-8) → p-n-propylbenzonitrile (60484-66-4)

Guidance literature:

para-methylbenzonitrile; With sodium amide; In diethyl ether; ammonia; for 0.5h;

ethyl bromide; In diethyl ether; ammonia; for 3h;

DOI:10.1021/ja034676g

upstream raw materials:

(E/Z)-4-(prop-1-en-1-yl)benzonitrile

(E)-4-(prop-1-en-1-yl)benzonitrile

ethyl bromide

para-methylbenzonitrile

Downstream raw materials:

1-methyl-4-n-pentylbenzene

4-pentylbenzyl 4-propylphenyl ketone

p-n-propylbenzamidinium chloride