2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile

Base Information

• Chemical Name: 2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile
• CAS No.: 127703-35-9
• Molecular Formula: C₁₃H₉NO
• Molecular Weight: 195.221
• Hs Code.: 2926907090
• DSSTox Substance ID: DTXSID20560393
• Nikkaji Number: J1.464.055J
• Wikidata: Q82443528
• Mol file: 127703-35-9.mol

Synonyms:2-(4-Cyanophenyl)phenol;127703-35-9;2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile;4-(2-hydroxyphenyl)benzonitrile;SCHEMBL6925026;DTXSID20560393;CFA70335;MFCD06802201;AKOS004116574;BS-27074;CS-0444053;2'-HYDROXY-[1,1'-BIPHENYL]-4-CARBONITRILE

Chemical Property of 2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.068413911
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

2-(4-Cyanophenyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile

There total 6 articles about 2'-Hydroxy[1,1'-biphenyl]-4-carbonitrile 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: 46.0%

4-(2-iodo-phenoxymethyl)-benzonitrile → 4-(3'-hydroxyphenyl)benzenecarbonitrile (127703-35-9) + 2’-methoxy-[1,1’-biphenyl]-4-carbonitrile (113547-30-1) + 8-cyanobenzo[c]chromene

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In toluene; at 80 ℃;

DOI:10.1016/S0040-4039(00)02111-0

Reference yield: 43.0%

4-phenoxybenzonitrile (3096-81-9) → 4-Cyano-4'-hydroxybiphenyl (19812-93-2) + 4-(3'-hydroxyphenyl)benzenecarbonitrile (127703-35-9) + phenol (108-95-2,27073-41-2)

Guidance literature:

In ethanol; for 2h; Ambient temperature; Irradiation;

DOI:10.1021/jo9517196

Reference yield: 14.0%

C13H9N3S (111278-47-8) + tetra-n-butylammonium phenolate (16909-23-2) → 4-Cyano-4'-hydroxybiphenyl (19812-93-2) + 4-(3'-hydroxyphenyl)benzenecarbonitrile (127703-35-9)

Guidance literature:

With hydrogenchloride; In dimethyl sulfoxide; for 2h; Ambient temperature;

DOI:10.1016/S0040-4039(01)93386-6

upstream raw materials:

4-Cyanochlorobenzene

sodium phenoxide

C₁₃H₉N₃S

tetra-n-butylammonium phenolate

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