3-(3-Formylphenoxymethyl)benzonitrile

Base Information

• Chemical Name: 3-(3-Formylphenoxymethyl)benzonitrile
• CAS No.: 928708-38-7
• Molecular Formula: C₁₅H₁₁NO₂
• Molecular Weight: 237.258
• DSSTox Substance ID: DTXSID901265696
• Mol file: 928708-38-7.mol

Synonyms:3-(3-formylphenoxymethyl)benzonitrile;928708-38-7;3-[(3-formylphenoxy)methyl]benzonitrile;3-((3-Formylphenoxy)methyl)benzonitrile;3-(3-Cyanobenzyloxy)benzaldehyde;DTXSID901265696;AKOS000168817;Benzonitrile, 3-[(3-formylphenoxy)methyl]-;EN300-42263;G32511;3-(3-formylphenoxymethyl)benzonitrile, AldrichCPR;Z73704407

Chemical Property of 3-(3-Formylphenoxymethyl)benzonitrile

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

97% ^*data from raw suppliers

3-(3-FORMYLPHENOXYMETHYL)BENZONITRILE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C#N)COC2=CC=CC(=C2)C=O

Technology Process of 3-(3-Formylphenoxymethyl)benzonitrile

There total 2 articles about 3-(3-Formylphenoxymethyl)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: 68.4%

3-Carboxyphenol (99-06-9) + m-(bromomethyl)benzonitrile (28188-41-2) → 3-(3-cyanobenzyloxy)benzaldehyde (928708-38-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) + m-(bromomethyl)benzonitrile (28188-41-2) → 3-(3-cyanobenzyloxy)benzaldehyde (928708-38-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 3h;

DOI:10.1016/j.bmc.2016.05.047

Reference yield: 39.1%

3,4,5-trihydroxybenzoic acid hydrazide (5782-85-4) + 3-(3-cyanobenzyloxy)benzaldehyde (928708-38-7) → N'-(3-((3-cyanobenzyl)oxy)benzylidene)-3,4,5-trihydroxybenzohydrazide

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1016/j.bmc.2016.05.047

upstream raw materials:

meta-hydroxybenzaldehyde

m-(bromomethyl)benzonitrile

3-Carboxyphenol