4-(Allyloxy)benzonitrile

Base Information

• Chemical Name: 4-(Allyloxy)benzonitrile
• CAS No.: 33148-47-9
• Molecular Formula: C10H9 N O
• Molecular Weight: 159.188
• Hs Code.: 2926909090
• NSC Number: 86576
• DSSTox Substance ID: DTXSID30292956
• Nikkaji Number: J668.594C
• Wikidata: Q82031478
• Mol file: 33148-47-9.mol

Synonyms:4-(ALLYLOXY)BENZONITRILE;33148-47-9;4-prop-2-enoxybenzonitrile;4-Allyloxybenzonitrile;NSC86576;4-allyloxy benzonitrile;4-Allyloxy-benzonitrile;4-cyanophenol allyl ether;4-cyanophenyl allyl ether;allyl 4-cyanophenyl ether;SCHEMBL1400344;DTXSID30292956;NEFWHNGRRGVCEW-UHFFFAOYSA-N;CCG-40510;MFCD09940590;NSC-86576;AKOS000184350;BS-28072;CS-0211187;FT-0744752

Chemical Property of 4-(Allyloxy)benzonitrile

Chemical Property:

• Vapor Pressure: 0.00229mmHg at 25°C
• Boiling Point: 288.8°Cat760mmHg
• Flash Point: 121.5°C
• PSA: 33.02000
• Density: 1.05g/cm³
• LogP: 2.12308
• Storage Temp.: Room temperature.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

4-(Allyloxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC=C(C=C1)C#N

Technology Process of 4-(Allyloxy)benzonitrile

There total 22 articles about 4-(Allyloxy)benzonitrile 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: 99.0%

4-(2-propenyloxy)benzaldehyde (40663-68-1) → 4-allyloxy-benzonitrile (33148-47-9)

Guidance literature:

With sodium azide; trifluorormethanesulfonic acid; In acetonitrile; at 20 ℃; for 0.0333333h;

DOI:10.1021/jo3008258

Reference yield: 99.0%

1-bromo-4-butene (5162-44-7) + 4-cyanophenol (767-00-0) → 4-allyloxy-benzonitrile (33148-47-9)

Guidance literature:

With potassium carbonate; In acetone; for 12h; Inert atmosphere; Reflux;

DOI:10.3390/molecules25030602

Reference yield: 97.0%

4-allyloxybenzyl alcohol (3256-45-9) → 4-allyloxy-benzonitrile (33148-47-9)

Guidance literature:

4-allyloxybenzyl alcohol; With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

With ammonia; iodine; In dichloromethane; water; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0033-1338489

upstream raw materials:

4-cyanophenol

allyl bromide

sodium 4-cyanophenolate

potassium p-cyanophenoxide

Downstream raw materials:

5-(4-(allyloxy)phenyl)-1H-tetrazole

(5-{3-[4-(5-dimethylcarbamoyl-4-methyl-thiazol-2-yl)-2-propyl-phenoxy]-propoxy}-indan-1-yl)-acetic acid ethyl ester

(5-{3-[2-propyl-4-(4-trifluoromethyl-thiazol-2-yl)-phenoxy]-propoxy}-indan-1-yl)-acetic acid ethyl ester

(5-{3-[4-(5-acetyl-4-methyl-thiazol-2-yl)-2-propyl-phenoxy]-propoxy}-indan-1-yl)-acetic acid ethyl ester

Refernces

• 1、 Gupta, Naveen Kumar,Kotha, Sambasivarao,Solanke, Balaji. U.. "Design and synthesis of C3-symmetric molecules containing oxepine and benzofuran moieties via Metathesis". . . Retrieved 2021/07/17.
• 2、 Lan, Chunling Blue,Auclair, Karine. "Ammonium Chloride-Promoted Rapid Synthesis of Monosubstituted Ureas under Microwave Irradiation". supporting information. p. 5135 - 5146. Retrieved 2021/10/19.