6-Phenylpicolinaldehyde

Base Information

• Chemical Name: 6-Phenylpicolinaldehyde
• CAS No.: 157402-44-3
• Molecular Formula: C12H9 N O
• Molecular Weight: 183.21
• Hs Code.: 2933399090
• European Community (EC) Number: 691-136-5
• DSSTox Substance ID: DTXSID10542865
• Nikkaji Number: J595.937C
• Wikidata: Q82419658
• Mol file: 157402-44-3.mol

Synonyms:6-Phenylpicolinaldehyde;157402-44-3;6-PHENYLPYRIDINE-2-CARBALDEHYDE;2-Pyridinecarboxaldehyde, 6-phenyl-;2-formyl-6-phenylpyridine;6-phenyl-2-pyridine aldehyde;SCHEMBL1359228;6-Phenyl-pyridine-2-carbaldehyde;DTXSID10542865;AMY26944;[6-phenyl]-2-pyridinecarboxaldehyde;MFCD11044383;AKOS006309958;BS-15993;A3460;CS-0156416;O11627

Chemical Property of 6-Phenylpicolinaldehyde

Chemical Property:

• Vapor Pressure: 0.000222mmHg at 25°C
• Melting Point: 85-90 °C(lit.)
• Refractive Index: 1.614
• Boiling Point: 326°Cat760mmHg
• PKA: 3.05±0.10(Predicted)
• Flash Point: 159°C
• PSA: 29.96000
• Density: 1.147g/cm³
• LogP: 2.70020
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

6-Phenylpicolinaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC(=N2)C=O

Technology Process of 6-Phenylpicolinaldehyde

There total 14 articles about 6-Phenylpicolinaldehyde 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%

6-bromo-2-pyridinecarbaldehyde (34160-40-2) + phenylboronic acid (98-80-6) → 6-phenylpyridine-2-carbaldehyde (157402-44-3)

Guidance literature:

With potassium fluoride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In tetrahydrofuran; for 18h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201108061

Reference yield: 76.0%

6-bromo-2-pyridinecarbaldehyde (34160-40-2) + tributylphenylstannane (960-16-7) → biphenyl (92-52-4,1594-86-1) + 6-phenylpyridine-2-carbaldehyde (157402-44-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 110 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2009.09.034

Reference yield: 63.0%

N,N-dimethyl-6-phenylpicolinamide → 6-phenylpyridine-2-carbaldehyde (157402-44-3)

Guidance literature:

With sodium hydride; sodium iodide; In tetrahydrofuran; at 40 ℃; chemoselective reaction;

DOI:10.1002/hlca.201800049

upstream raw materials:

6-bromo-2-pyridinecarbaldehyde

phenylboronic acid

2-phenyl-6-(hydroxymethyl)-pyridine

bromobenzene

Downstream raw materials:

(6-N-(6-phenyl-2-pyridyl)methyl)-N,N-((2-pyridyl)methyl)amine

bis-(6-methyl-pyridin-2-ylmethyl)-(6-phenyl-pyridin-2-ylmethyl)-amine

N,N-bis[(6-phenyl-2-pyridyl)methyl]-2-phenethylamine

1-(1H-benzo[d][1,2,3]triazol-1-yl)-N,N-dimethyl-1-(6-phenylpyridin-2-yl)methanamine