3-(2-Pyridyl)benzaldehyde

Base Information

• Chemical Name: 3-(2-Pyridyl)benzaldehyde
• CAS No.: 85553-53-3
• Molecular Formula: C12H9NO
• Molecular Weight: 183.21
• Hs Code.: 2913000090
• European Community (EC) Number: 678-461-8
• DSSTox Substance ID: DTXSID90395351
• Nikkaji Number: J1.143.702H
• Mol file: 85553-53-3.mol

Synonyms:3-(2-Pyridyl)benzaldehyde;85553-53-3;3-(Pyridin-2-Yl)Benzaldehyde;3-(2-pyridinyl)benzaldehyde;3-pyridin-2-ylbenzaldehyde;3-Pyridin-2-yl-benzaldehyde;3-pyrid-2-ylbenzaldehyde;Benzaldehyde, 3-(2-pyridinyl)-;2-(3-Formylphenyl)pyridine;MFCD02684103;SCHEMBL510345;DTXSID90395351;SAPNGHSAYQXRPG-UHFFFAOYSA-N;5-(2-PYRIDYL)BENZALDEHYDE;AR1652;AKOS004113794;PS-3589;3-(2-pyridinyl)benzaldehyde, AldrichCPR;AC-30417;SY050757;BB 0222817;CS-0095847;FT-0642005;P1889;EN300-114893;A841361;J-510947;Z1143356184

Chemical Property of 3-(2-Pyridyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 6.13E-05mmHg at 25°C
• Melting Point: 163℃
• Refractive Index: 1.614
• Boiling Point: 345.5 °C at 760 mmHg
• Flash Point: 170.7 °C
• PSA: 29.96000
• Density: 1.147 g/cm³
• LogP: 2.56110
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.068413911
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(Pyridin-2-yl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2-Pyridyl)benzaldehyde

There total 10 articles about 3-(2-Pyridyl)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: 92.0%

2-bromo-pyridine (109-04-6) + 3-Formylphenylboronic acid (87199-16-4) → 3-(2-pyridinyl)benzaldehyde (85553-53-3)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium carbonate; In methanol; water; toluene; for 18h;

DOI:10.1039/d1md00175b

Reference yield: 90.0%

m-bromobenzoic aldehyde (3132-99-8) + 2-tri-n-butylstannylpyridine (17997-47-6) → 3-(2-pyridinyl)benzaldehyde (85553-53-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 110 ℃; for 43h;

DOI:10.1021/acs.inorgchem.1c00070

Reference yield: 69.0%

2-hydroxypyridin (142-08-5) + 3-Formylphenylboronic acid (87199-16-4) → 3-(2-pyridinyl)benzaldehyde (85553-53-3)

Guidance literature:

2-hydroxypyridin; With potassium carbonate; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,4-dioxane; at 100 ℃; for 3h; Inert atmosphere;

3-Formylphenylboronic acid; With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 100 ℃; Inert atmosphere;

DOI:10.1039/c1cc15753a

upstream raw materials:

2-bromo-pyridine

3-Formylphenylboronic acid

3-(1,3-dioxolan-2-yl)-phenylbromide

sodium carbonate

Refernces

• 1、 -. "2-(aryl (azacycloalkane-1-yl) methyl) phenol derivatives and uses thereof". Paragraph 0371-0374; 0375-0377. . Retrieved 2021/07/24.
• 2、 -. "Preparation method of meta-aromatic aldehyde (by machine translation)". Paragraph 0008. . Retrieved 2020/03/03.