2-(4-Propylphenyl)acetonitrile

Base Information

• Chemical Name: 2-(4-Propylphenyl)acetonitrile
• CAS No.: 3166-98-1
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.231
• DSSTox Substance ID: DTXSID701310299
• Mol file: 3166-98-1.mol

Synonyms:2-(4-propylphenyl)acetonitrile;3166-98-1;4-Propylbenzeneacetonitrile;SCHEMBL31258;FMNKBHRIVOFECV-UHFFFAOYSA-N;DTXSID701310299;AKOS006314968;EN300-692993;A1-60582

Chemical Property of 2-(4-Propylphenyl)acetonitrile

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Propylphenyl)acetonitrile

There total 14 articles about 2-(4-Propylphenyl)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: 91.0%

sodium cyanide (773837-37-9) + 1-(iodomethyl)-4-propylbenzene (1360803-33-3) → (4-n-propylphenyl)acetonitrile (3166-98-1)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 60.0%

1-(Bromomethyl)-4-propylbenzene (91062-39-4) + sodium cyanide (143-33-9,25596-52-5) → (4-n-propylphenyl)acetonitrile (3166-98-1)

Guidance literature:

In ethanol; water; Heating;

DOI:10.1021/ol0713990

Reference yield:

propylboronic acid (17745-45-8) + 4-Bromophenylacetonitrile (16532-79-9) → (4-n-propylphenyl)acetonitrile (3166-98-1)

Guidance literature:

With potassium phosphate; (2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1 ‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; In toluene; at 90 ℃; for 2h; Inert atmosphere;

upstream raw materials:

1-(Bromomethyl)-4-propylbenzene

sodium cyanide

4-propylbenzoyl chloride

4-n-propylbenzaldehyde

Downstream raw materials:

methyl 2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)acetate

2-(N-(4-propylbenzyl)-2-(4-propylphenyl)acetamido)acetic acid

2-(4-propylphenyl)acetic acid

2-(4-n-propylphenyl)-3-phenylpropan-2-one