4-[4-(Chloromethyl)phenoxy]benzonitrile

Base Information

Chemical Name:4-[4-(Chloromethyl)phenoxy]benzonitrile
CAS No.:90178-74-8
Molecular Formula:C14H10ClNO
Molecular Weight:243.692
Hs Code.:
DSSTox Substance ID:DTXSID70531093
Wikidata:Q82402682

Synonyms:4-[4-(Chloromethyl)phenoxy]benzonitrile;90178-74-8;4-(4-(Chloromethyl)phenoxy)benzonitrile;SCHEMBL2999573;DTXSID70531093;AKOS005880967

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 4-[4-(Chloromethyl)phenoxy]benzonitrile

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:243.0450916
Heavy Atom Count:17
Complexity:269

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CCl)OC2=CC=C(C=C2)C#N

Technology Process of 4-[4-(Chloromethyl)phenoxy]benzonitrile

There total 6 articles about 4-[4-(Chloromethyl)phenoxy]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: 97.0%

: 90178-73-7
4-(4-(hydroxymethyl)phenoxy)benzonitrile

: 90178-74-8
4-(4-(chloromethyl)phenoxy)benzonitrile

Guidance literature:: With hydrogenchloride; tert-butylammonium hydrogen sulphate; In dichloromethane; water; for 1h;
DOI:10.1016/j.bioorg.2020.103590

Reference yield:

: 459-57-4
4-fluorobenzaldehyde

: 90178-74-8
4-(4-(chloromethyl)phenoxy)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₃ / dimethylformamide / 3 h / 155 - 160 °C

2: 89 percent / sodium tetrahydroborate / H₂O; methanol / 0.5 h

3: 85 percent / pyridine, thionylchloride / diethyl ether / 3 h / Ambient temperature

With pyridine; sodium tetrahydroborate; thionyl chloride; potassium carbonate; In methanol; diethyl ether; water; N,N-dimethyl-formamide;
DOI:10.1002/jlac.198419840302

Reference yield:

: 90178-71-5
4-(4-formylphenoxy)benzonitrile

: 90178-74-8
4-(4-(chloromethyl)phenoxy)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / sodium tetrahydroborate / H₂O; methanol / 0.5 h

2: 85 percent / pyridine, thionylchloride / diethyl ether / 3 h / Ambient temperature

With pyridine; sodium tetrahydroborate; thionyl chloride; In methanol; diethyl ether; water;
DOI:10.1002/jlac.198419840302