3-Nitroisonicotinaldehyde

Base Information

• Chemical Name: 3-Nitroisonicotinaldehyde
• CAS No.: 153813-70-8
• Molecular Formula: C6H4N2O3
• Molecular Weight: 152.109
• Hs Code.: 2933399090
• European Community (EC) Number: 829-786-0
• DSSTox Substance ID: DTXSID20376638
• Nikkaji Number: J1.053.384H
• Wikidata: Q72496037
• Mol file: 153813-70-8.mol

Synonyms:3-nitroisonicotinaldehyde;153813-70-8;3-nitropyridine-4-carbaldehyde;3-Nitropyridine-4-carboxaldehyde;3-nitro-4-pyridinecarboxaldehyde;MFCD06253937;4-Pyridinecarboxaldehyde, 3-nitro-;SCHEMBL319184;3-nitro-pyridine-4-carbaldehyde;DTXSID20376638;CPHKHQSASVFAHL-UHFFFAOYSA-N;AMY32256;AKOS002663665;AB23674;DS-11167;SY025564;CS-0018948;FT-0645846;EN300-173680;A809470;J-512978;Z1198168586

Chemical Property of 3-Nitroisonicotinaldehyde

Chemical Property:

• Vapor Pressure: 0.000615mmHg at 25°C
• Melting Point: 53-54 °C
• Refractive Index: 1.627
• Boiling Point: 310.047 °C at 760 mmHg
• PKA: -0.78±0.18(Predicted)
• Flash Point: 141.312 °C
• PSA: 75.78000
• Density: 1.433 g/cm³
• LogP: 1.32550
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 152.02219199
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

3-Nitroisonicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C=O)[N+](=O)[O-]

Technology Process of 3-Nitroisonicotinaldehyde

There total 5 articles about 3-Nitroisonicotinaldehyde 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: 75.0%

(E)-N,N-dimethyl-2-(3-nitropyridin-4-yl)ethenamine (908847-23-4) → 3-nitro-4-pyridinecarboxaldehyde (153813-70-8)

Guidance literature:

With sodium periodate; In tetrahydrofuran; water; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)76515-4

Reference yield: 62.0%

pyridine-4-carbaldehyde (872-85-5) → 3-nitro-4-pyridinecarboxaldehyde (153813-70-8)

Guidance literature:

With sulfur dioxide; dinitrogen pentoxide; In water;

DOI:10.3891/acta.chem.scand.53-0141

Reference yield: 60.0%

3-nitro-4-methylpyridine (5832-44-0) → 3-nitro-4-pyridinecarboxaldehyde (153813-70-8)

Guidance literature:

With tert.-butylhydroperoxide; selenium(IV) oxide; In dichloromethane; at 35 ℃; for 72h;

DOI:10.1021/jm00007a008

upstream raw materials:

3-nitro-4-methylpyridine

(E)-N,N-dimethyl-2-(3-nitropyridin-4-yl)ethenamine

pyridine-4-carbaldehyde

dimethyl-[2-(3-nitro-pyridin-4-yl)-vinyl]-amine

Downstream raw materials:

N-(3-amino-4-picolylidene)-p-toluidine

(R,S)-3-nitro-4-(1-hydroxyethyl)pyridine

2-(4-bromophenyl)-3-methoxy-2H-pyrazoloxazine[3,4-c]pyridine

3-(3-nitropyridine-4-ylmethylamino)-N-(4-trifluoromethoxyphenyl)thiophene-2-carboxamide