4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile

Base Information

Chemical Name:4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile
CAS No.:62100-06-5
Molecular Formula:C₁₆H₁₅NO₂
Molecular Weight:253.301
Hs Code.:
DSSTox Substance ID:DTXSID10491566

Synonyms:4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile;62100-06-5;DTXSID10491566

Suppliers and Price of 4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:253.110278721
Heavy Atom Count:19
Complexity:306

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)O

Technology Process of 4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]benzonitrile

There total 6 articles about 4-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]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:

: potassium 2-(4-cyanophenyl)acetate

: 123-11-5
4-methoxy-benzaldehyde

: 62100-06-5
α'-hydroxy-4'-methoxy-bibenzyl-4-carbonitrile

Guidance literature:: In N,N-dimethyl-formamide; at 70 ℃; for 24h; Inert atmosphere;
DOI:10.1126/science.abb4129

Reference yield:

: 62044-37-5
4-cyanophenylacetic acid chloride

: 62100-06-5
α'-hydroxy-4'-methoxy-bibenzyl-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aluminium chloride; nitrobenzene

2: aluminium isopropylate; isopropyl alcohol

With aluminium trichloride; aluminum isopropoxide; nitrobenzene; isopropyl alcohol;
DOI:10.1002/hlca.19460290224

Reference yield:

: 100-66-3
methoxybenzene

: 62100-06-5
α'-hydroxy-4'-methoxy-bibenzyl-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aluminium chloride; nitrobenzene

2: aluminium isopropylate; isopropyl alcohol

With aluminium trichloride; aluminum isopropoxide; nitrobenzene; isopropyl alcohol;
DOI:10.1002/hlca.19460290224