4-[(5-Formyl-2-pyridinyl)oxy]benzenecarbonitrile

Base Information

• Chemical Name: 4-[(5-Formyl-2-pyridinyl)oxy]benzenecarbonitrile
• CAS No.: 328547-41-7
• Molecular Formula: C₁₃H₈N₂O₂
• Molecular Weight: 224.219
• DSSTox Substance ID: DTXSID80377328
• Wikidata: Q82166505
• Mol file: 328547-41-7.mol

Synonyms:328547-41-7;4-[(5-formyl-2-pyridinyl)oxy]benzenecarbonitrile;4-((5-Formylpyridin-2-yl)oxy)benzonitrile;4-(5-formylpyridin-2-yl)oxybenzonitrile;4-[(5-formylpyridin-2-yl)oxy]benzonitrile;4-[(5-Formylpyridin-2-yl)oxy]benzenecarbonitrile;Oprea1_730518;4-[(5-Formyl-2-pyridinyl)oxy]benzene carbonitrile;SCHEMBL6198763;DTXSID80377328;MFCD00974909;AKOS005070818;6L-309S;CS-0323565;4-[(5-formyl-2-pyridinyl)oxy]benzenecarbonitrile, AldrichCPR

Chemical Property of 4-[(5-Formyl-2-pyridinyl)oxy]benzenecarbonitrile

Chemical Property:

• Melting Point: 133-135,5°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 224.058577502
• Heavy Atom Count: 17
• Complexity: 302

Purity/Quality:

97% ^*data from raw suppliers

4-[(5-formyl-2-pyridinyl)oxy]benzenecarbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C#N)OC2=NC=C(C=C2)C=O

Technology Process of 4-[(5-Formyl-2-pyridinyl)oxy]benzenecarbonitrile

There total 1 articles about 4-[(5-Formyl-2-pyridinyl)oxy]benzenecarbonitrile 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: 77.0%

4-cyanophenol (767-00-0) + 6-bromonicotinaldehyde (149806-06-4) → 4-(5-formylpyridin-2-yloxy)benzonitrile (328547-41-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 150 ℃; for 3h; Inert atmosphere;

DOI:10.3987/COM-08-S(D)8

Reference yield: 49.0%

4-(5-formylpyridin-2-yloxy)benzonitrile (328547-41-7) + diazomethyl-trimethyl-silane (18107-18-1) → 4-(5-ethynylpyridin-2-yloxy)benzonitrile (1162684-27-6)

Guidance literature:

diazomethyl-trimethyl-silane; With lithium diisopropyl amide; In tetrahydrofuran; diethyl ether; n-heptane; ortho-diethylbenzene; at -78 ℃; for 0.5h; Inert atmosphere;

4-(5-formylpyridin-2-yloxy)benzonitrile; In tetrahydrofuran; diethyl ether; n-heptane; ortho-diethylbenzene; at -78 ℃; for 4h; Inert atmosphere; Reflux;

DOI:10.3987/COM-08-S(D)8

upstream raw materials:

4-cyanophenol

6-bromonicotinaldehyde

Downstream raw materials:

4-(5-ethynylpyridin-2-yloxy)benzonitrile