4-(Methoxymethyl)benzonitrile

Base Information

• Chemical Name: 4-(Methoxymethyl)benzonitrile
• CAS No.: 1515-85-1
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 2926909090
• European Community (EC) Number: 815-215-2
• ChEMBL ID: CHEMBL4548703
• DSSTox Substance ID: DTXSID70534726
• Nikkaji Number: J718.207D
• Wikidata: Q82408683
• Mol file: 1515-85-1.mol

Synonyms:4-(methoxymethyl)benzonitrile;1515-85-1;Benzonitrile, 4-(methoxymethyl)-;4-methoxymethyl-benzonitrile;SCHEMBL993599;CHEMBL4548703;SCHEMBL13088442;DTXSID70534726;RUWUCOYLNIGKRD-UHFFFAOYSA-N;AKOS000181699;CS-0249848;EN300-45402;G30564;Z295205408

Chemical Property of 4-(Methoxymethyl)benzonitrile

Chemical Property:

• PSA: 33.02000
• LogP: 1.70468
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC=C(C=C1)C#N

Technology Process of 4-(Methoxymethyl)benzonitrile

There total 14 articles about 4-(Methoxymethyl)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-(dimethoxymethyl)benzonitrile (90921-71-4) → 4-(methoxymethyl)benzonitrile (1515-85-1)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; copper(II) bis(trifluoromethanesulfonate); In dichloromethane; at 20 ℃;

DOI:10.1039/c1gc15636e

Reference yield: 95.0%

4-Cyanobenzyl alcohol (874-89-5) + methyl iodide (74-88-4) → 4-(methoxymethyl)benzonitrile (1515-85-1)

Guidance literature:

4-Cyanobenzyl alcohol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃;

methyl iodide; In tetrahydrofuran; mineral oil; at 20 ℃;

DOI:10.1021/jm901563p

Reference yield: 92.0%

methanol (67-56-1) + 4-cyanobenzyl bromide (17201-43-3) → 4-(methoxymethyl)benzonitrile (1515-85-1)

Guidance literature:

With silver(II) oxide; for 0.5h; Heating;

DOI:10.1080/00397919308009835

upstream raw materials:

1-bromo-4-methoxymethylbenzene

methanol

3-(4'-Cyanophenyl)-1,1,2,2-tetramethylcyclopropane

4-bromobenzenecarbonitrile

Downstream raw materials:

4-cyanobenzoic Acid

4-cyanobenzoic acid methyl ester

4-(methoxymethyl)phenylglyoxal

2-(4'-cyanophenyl)benzothiazole