2-(p-Nitrobenzyl)pyridine

Base Information

• Chemical Name: 2-(p-Nitrobenzyl)pyridine
• CAS No.: 620-87-1
• Molecular Formula: C12H10 N2 O2
• Molecular Weight: 214.224
• Hs Code.: 2933399090
• European Community (EC) Number: 635-133-9
• NSC Number: 31608
• DSSTox Substance ID: DTXSID0060725
• Nikkaji Number: J421.518D
• Wikidata: Q81989169
• ChEMBL ID: CHEMBL1559068
• Mol file: 620-87-1.mol

Synonyms:2-(p-Nitrobenzyl)pyridine;620-87-1;2-(4-Nitrobenzyl)pyridine;2-[(4-nitrophenyl)methyl]pyridine;Pyridine, 2-(p-nitrobenzyl)-;Pyridine, 2-[(4-nitrophenyl)methyl]-;Pyridine, 2-((4-nitrophenyl)methyl)-;NSC 31608;NSC31608;2- (4-nitrobenzyl)pyridine;Oprea1_390663;MLS001360454;SCHEMBL1053453;CHEMBL1559068;DTXSID0060725;Pyridine, 2-(4-nitrobenzyl)-;HMS3056L06;MFCD00043592;NSC-31608;AKOS003273631;NCGC00247285-01;LS-07700;SMR001223911;FT-0608914;A833575

Chemical Property of 2-(p-Nitrobenzyl)pyridine

Chemical Property:

• Vapor Pressure: 3.83E-05mmHg at 25°C
• Melting Point: 78-80°C
• Boiling Point: 363.2ºC at 760 mmHg
• PKA: 4.83±0.10(Predicted)
• Flash Point: 173.5ºC
• PSA: 58.71000
• Density: 1.231g/cm3
• LogP: 3.10380
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

2-(4-NITROBENZYL)PYRIDINE Aldrich ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(p-Nitrobenzyl)pyridine

There total 9 articles about 2-(p-Nitrobenzyl)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: 91.0%

6-(4-nitrophenyl)hex-5-ynal oxime (1201003-33-9) → 2-(4-nitrobenzyl)pyridine (620-87-1)

Guidance literature:

6-(4-nitrophenyl)hex-5-ynal oxime; With toluene-4-sulfonic acid; In chlorobenzene; at 180 ℃; for 8h; Microwave irradiation; Inert atmosphere;

With triethylamine; In chlorobenzene;

DOI:10.1002/anie.200903922

Reference yield: 57.0%

2-Benzylpyridine (101-82-6) → 2-(4-nitrobenzyl)pyridine (620-87-1)

Guidance literature:

With sulfuric acid; nitric acid; at 50 ℃; for 0.0833333h;

DOI:10.1248/cpb.52.818

Reference yield: 40.0%

2-chloromethylpyridine (4377-33-7) + nitrobenzene (98-95-3,26969-40-4) → 2-(4-nitrobenzyl)pyridine (620-87-1) + 2-(2-nitrobenzyl)pyridine (13347-69-8)

Guidance literature:

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

DOI:10.1002/ejoc.200300806

upstream raw materials:

2-Benzylpyridine

2-(4-nitro-benzyl)-pyridine-1-oxide

N-methyl-2-(p-nitrobenzyl)pyridinium iodide

sulfuric acid

Downstream raw materials:

(3R,4S)-4-(4-nitrophenyl)-3-phenyl-4-(pyridin-2-yl)butan-1-ol

(3R,4R)-4-(4-nitrophenyl)-3-phenyl-4-(pyridin-2-yl)butan-1-ol

2-(2,4-dinitro-benzyl)-1-methyl-pyridinium; iodide

(2,4-dinitrophenyl)(pyridin-2-yl)methanone