4-(2,4-Dinitrobenzyl)pyridine

Base Information

• Chemical Name: 4-(2,4-Dinitrobenzyl)pyridine
• CAS No.: 1603-85-6
• Molecular Formula: C12H9 N3 O4
• Molecular Weight: 259.221
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50398202
• Nikkaji Number: J540.197F
• Wikidata: Q82200053
• Mol file: 1603-85-6.mol

Synonyms:4-(2,4-Dinitrobenzyl)pyridine;1603-85-6;4-[(2,4-dinitrophenyl)methyl]pyridine;Pyridine, 4-[(2,4-dinitrophenyl)methyl]-;SCHEMBL10038667;DTXSID50398202;BAA60385;MFCD01321164;Pyridine, 4-(2,4-dinitrobenzyl)-;AKOS025394414;AS-76199;CS-0447518;D2543;FT-0633696;T70359;A810141

Chemical Property of 4-(2,4-Dinitrobenzyl)pyridine

Chemical Property:

• Melting Point: 78 °C
• Boiling Point: 432.4ºC at 760 mmHg
• Flash Point: 215.3ºC
• PSA: 104.53000
• Density: 1.395g/cm3
• LogP: 3.53520
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 333

Purity/Quality:

97% ^*data from raw suppliers

4-(2,4-Dinitrobenzyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC2=CC=NC=C2

Technology Process of 4-(2,4-Dinitrobenzyl)pyridine

There total 6 articles about 4-(2,4-Dinitrobenzyl)pyridine 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: 20.0%

4-(Chloromethyl)pyridine (10445-91-7) + meta-dinitrobenzene (99-65-0) → 4-(2',4'-Dinitrobenzyl)-pyridin (1603-85-6)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1002/ejoc.200300806

Reference yield:

4-benzyl pyridine (2116-65-6) + sulfuric acid (7664-93-9) → 4-Nitrobenzylpyridin (1083-48-3) + 4-(3-nitro-benzyl)-pyridine (32341-81-4) + 4-(2',4'-Dinitrobenzyl)-pyridin (1603-85-6)

Guidance literature:

at 20 ℃;

Reference yield:

4-benzyl pyridine (2116-65-6) → 4-(2',4'-Dinitrobenzyl)-pyridin (1603-85-6)

Guidance literature:

With sulfuric acid; nitric acid; at 70 - 80 ℃;

upstream raw materials:

4-benzyl pyridine

4-Nitrobenzylpyridin

sulfuric acid

4-(Chloromethyl)pyridine

Downstream raw materials:

3-nitro-4-[4]pyridylmethyl-aniline

(2-Aminophenyl)-(pyridin-4-yl)methanone

1-(2-amino-phenyl)-1-[4]pyridyl-ethanol

4-(2-nitrobenzyl)pyridine