4-(Pyridin-3-yl)benzaldehyde

Base Information

• Chemical Name: 4-(Pyridin-3-yl)benzaldehyde
• CAS No.: 127406-55-7
• Molecular Formula: C12H9NO
• Molecular Weight: 183.21
• Hs Code.: 29333990
• European Community (EC) Number: 625-177-7
• DSSTox Substance ID: DTXSID70395132
• Nikkaji Number: J2.025.330D
• Wikidata: Q72504069
• Mol file: 127406-55-7.mol

Synonyms:4-(Pyridin-3-yl)benzaldehyde;127406-55-7;4-Pyridin-3-yl-benzaldehyde;4-(3-Pyridinyl)benzaldehyde;4-(3-Pyridyl)benzaldehyde;4-pyridin-3-ylbenzaldehyde;MFCD01631910;4-pyrid-3-ylbenzaldehyde;Benzaldehyde, 4-(3-pyridinyl)-;SCHEMBL6172;3-(4-Formylphenyl)pyridine;DTXSID70395132;NXZUVHZZIZHEOP-UHFFFAOYSA-N;AR2030;4-(Pyridin-3-yl)benzaldehyde, 98%;AKOS004114060;CS-W019958;PS-3597;AM20070114;BB 0222742;FT-0681604;P2332;EN300-745584;W-205283

Chemical Property of 4-(Pyridin-3-yl)benzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 4.36E-05mmHg at 25°C
• Melting Point: 51.7-53.7 °C
• Refractive Index: 1.614
• Boiling Point: 350.55 °C at 760 mmHg
• PKA: 4.47±0.10(Predicted)
• Flash Point: 173.674 °C
• PSA: 29.96000
• Density: 1.148 g/cm³
• LogP: 2.56110
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Pyridin-3-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(Pyridin-3-yl)benzaldehyde

There total 18 articles about 4-(Pyridin-3-yl)benzaldehyde 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: 100.0%

4-(pyridin-3-yl)benzaldehyde dimethyl acetal (160377-61-7) → 4-(pyridin-3-yl)benzaldehyde (127406-55-7)

Guidance literature:

Acidic conditions;

Reference yield: 99.0%

3-Chloropyridine (626-60-8) + 4-formylphenylboronic acid, (87199-17-5) → 4-(pyridin-3-yl)benzaldehyde (127406-55-7)

Guidance literature:

3-Chloropyridine; 4-formylphenylboronic acid,; With palladium diacetate; (R)-6-dicyclohexylphoshino-6'-diphenylphosphino-3,3'-dimethoxy-2,2',4,4'-tetramethyl-1,1'-biphenyl; In dodecane; butan-1-ol; at 25 ℃; for 0.0833333h; Glovebox; Inert atmosphere;

With cesiumhydroxide monohydrate; In dodecane; water; butan-1-ol; at 80 ℃; for 4h; Glovebox; Inert atmosphere;

DOI:10.1002/ejoc.201200918

Reference yield: 95.0%

3-iodopyridine (1120-90-7) + 4-formylphenylboronic acid, (87199-17-5) → 4-(pyridin-3-yl)benzaldehyde (127406-55-7)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 90 ℃; for 2h;

DOI:10.1002/adsc.201000940

upstream raw materials:

3-iodopyridine

4-bromo-benzaldehyde

[tris(3-pyridyl)boroxin]

4-formylphenylboronic acid,

Downstream raw materials:

3-(4-hydroxymethylphenyl)-1-methyl-1,2,5,6-tetrahydropyridine

(4-pyridin-3-yl-phenyl)-methanol