4-(4-Methylphenoxy)benzonitrile

Base Information

• Chemical Name: 4-(4-Methylphenoxy)benzonitrile
• CAS No.: 37563-42-1
• Molecular Formula: C14H11 N O
• Molecular Weight: 209.247
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80398735
• Nikkaji Number: J1.648.083E
• Wikidata: Q72494565
• Mol file: 37563-42-1.mol

Synonyms:4-(p-Tolyloxy)benzonitrile;4-(4-methylphenoxy)benzonitrile;37563-42-1;SCHEMBL459019;DTXSID80398735;ISMMAUUEMOWLIC-UHFFFAOYSA-N;AR3593;MFCD01360181;AKOS000221837;AS-45645;CS-0072497;FT-0706948;EN300-113290;A918733;F2167-7035;Z331877428

Chemical Property of 4-(4-Methylphenoxy)benzonitrile

Chemical Property:

• PSA: 33.02000
• Density: 1.14
• LogP: 3.65898
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

4-(P-Tolyloxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)C#N

Technology Process of 4-(4-Methylphenoxy)benzonitrile

There total 15 articles about 4-(4-Methylphenoxy)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-Cyanochlorobenzene (623-03-0) + p-cresol (106-44-5) → 4-(4'-methylphenoxy)benzonitrile (37563-42-1)

Guidance literature:

4-Cyanochlorobenzene; With potassium phosphate; N,N'-bis(2,5-dimethylpyrrol-1-yl)oxalamide; copper(I) bromide; In dimethyl sulfoxide; at 20 ℃; Inert atmosphere; Sealed tube; Glovebox;

p-cresol; In dimethyl sulfoxide; at 120 ℃; for 24h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1002/anie.202015654

Reference yield: 99.0%

p-cresol (106-44-5) + 4-bromobenzenecarbonitrile (623-00-7) → 4-(4'-methylphenoxy)benzonitrile (37563-42-1)

Guidance literature:

With potassium fluoride; copper(II) ion; silica gel; In dimethyl sulfoxide; at 130 ℃; for 16h;

DOI:10.1016/j.tetlet.2006.11.001

Reference yield: 98.0%

p-cresol (106-44-5) + 4-nitrobenzonitrile (619-72-7) → 4-(4'-methylphenoxy)benzonitrile (37563-42-1)

Guidance literature:

With 2C₁₅H₂₃N₃O₂*2Cu⁽²⁺⁾*4ClO₄^(1-)*5H₂O; potassium carbonate; In ethanol; at 80 ℃; for 8h; Catalytic behavior; Green chemistry;

DOI:10.1039/c5ra14758a

upstream raw materials:

p-cresol

4-bromobenzenecarbonitrile

4-Cyanochlorobenzene

4-fluorobenzonitrile

Downstream raw materials:

(4‐(p‐tolyloxy)phenyl)methanamine

6-(4-(p-tolyloxy)phenyl)-1,3,5-triazine-2,4-diamine

N-[4-(4-methylphenoxy)benzyl]-4-chloro-3-ethyl-1-methyl-5-pyrazolecarboxamide

4-(4-methylphenoxy)benzylamine hydrochloride

Refernces

• 1、 Ghosh, Pameli,Maity, Tanmoy,Biswas, Saptarshi,Debnath, Rakesh,Koner, Subratanath. "Thermally stable and robust gadolinium-based metal-organic framework: Synthesis, structure and heterogeneous catalytic O-arylation reaction". . . Retrieved 2020/12/21.
• 2、 Mohammadinezhad, Arezou,Akhlaghinia, Batool. "CoII Immobilized on Aminated Magnetic-Based Metal–Organic Framework: An Efficient Heterogeneous Nanostructured Catalyst for the C–O Cross-Coupling Reaction in Solvent-Free Conditions". . p. 332 - 352. Retrieved 2020/01/11.