3-Amino-4-benzoyl-2-chloropyridine

Base Information

• Chemical Name: 3-Amino-4-benzoyl-2-chloropyridine
• CAS No.: 342899-36-9
• Molecular Formula: C₁₂H₉ClN₂O
• Molecular Weight: 232.669
• DSSTox Substance ID: DTXSID60441096
• Nikkaji Number: J1.500.016C
• Mol file: 342899-36-9.mol

Synonyms:342899-36-9;3-AMINO-4-BENZOYL-2-CHLOROPYRIDINE;(3-Amino-2-chloropyridin-4-yl)(phenyl)methanone;(3-amino-2-chloropyridin-4-yl)-phenylmethanone;DTXSID60441096;4-Benzoyl-2-chloropyridine-3-amine;AB87318;CS-0451379;(3-amino-2-chloro-4-pyridyl)-phenyl-methanone;A822152

Chemical Property of 3-Amino-4-benzoyl-2-chloropyridine

Chemical Property:

• Boiling Point: 453.546 °C at 760 mmHg
• PKA: 1.15±0.10(Predicted)
• Flash Point: 228.096 °C
• PSA: 55.98000
• Density: 1.33 g/cm³
• LogP: 3.12940
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.0403406
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

(3-Amino-2-chloropyridin-4-yl)(phenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Amino-4-benzoyl-2-chloropyridine

There total 3 articles about 3-Amino-4-benzoyl-2-chloropyridine 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: 47.0%

(3-aminopyridin-4-yl)(phenyl)methanone (3810-11-5) → 3-amino-4-benzoyl-2-chloropyridine (342899-36-9)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; at 20 ℃; for 0.5h;

DOI:10.1002/jhet.5570380114

Reference yield:

4-Benzoylpyridine (14548-46-0) → 3-amino-4-benzoyl-2-chloropyridine (342899-36-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: N₂O₅ / liquid sulphur dioxide / 0.08 h / -38 °C

1.2: 74 percent / H₂O / liquid sulphur dioxide / 16 h / 20 °C

2.1: 83 percent / sodium hyposulfite / aq. ethanol / 6 h / Heating

3.1: 47 percent / conc. aq. HCl; 35 percent aq. H₂O₂ / 0.5 h / 20 °C

With hydrogenchloride; dihydrogen peroxide; dinitrogen pentoxide; sodium thiosulfate; In ethanol;

DOI:10.1002/jhet.5570380114

Reference yield:

4-benzoyl-3-nitropyridine (164219-72-1) → 3-amino-4-benzoyl-2-chloropyridine (342899-36-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / sodium hyposulfite / aq. ethanol / 6 h / Heating

2: 47 percent / conc. aq. HCl; 35 percent aq. H₂O₂ / 0.5 h / 20 °C

With hydrogenchloride; dihydrogen peroxide; sodium thiosulfate; In ethanol;

DOI:10.1002/jhet.5570380114

upstream raw materials:

(3-aminopyridin-4-yl)(phenyl)methanone

4-Benzoylpyridine

4-benzoyl-3-nitropyridine