4-Aminonicotinaldehyde

Base Information

• Chemical Name: 4-Aminonicotinaldehyde
• CAS No.: 42373-30-8
• Molecular Formula: C6H6N2O
• Molecular Weight: 122.126
• Hs Code.: 2933399090
• European Community (EC) Number: 640-126-9
• DSSTox Substance ID: DTXSID50375492
• Nikkaji Number: J992.434E
• Wikidata: Q72437485
• Mol file: 42373-30-8.mol

Synonyms:4-aminonicotinaldehyde;42373-30-8;4-Amino-3-formylpyridine;4-aminopyridine-3-carbaldehyde;4-amino-pyridine-3-carbaldehyde;4-aminopyridine-3-carboxaldehyde;MFCD04038972;4-Amino-pyridine-3-carboxaldehyde;4-Amino-3-pyridinecarboxaldehyde;SCHEMBL142888;DTXSID50375492;GTPZHMGXKZIHKW-UHFFFAOYSA-N;STK689820;AKOS002666410;CS-W008204;PB27639;PS-5044;4-Amino-pyridine-3-carboxaldehyde, 95%;AC-23040;SY022278;A6924;AM20051172;FT-0639787;EN300-73299;4-Amino-pyridine-3-carboxaldehyde, AldrichCPR;J-514460;F2100-0169;Z1157726300

Chemical Property of 4-Aminonicotinaldehyde

Chemical Property:

• Vapor Pressure: 7.66E-05mmHg at 25°C
• Melting Point: 97-98 °C
• Refractive Index: 1.652
• Boiling Point: 342.2 °C at 760 mmHg
• PKA: 6.96±0.12(Predicted)
• Flash Point: 160.7 °C
• PSA: 55.98000
• Density: 1.264 g/cm³
• LogP: 1.05750
• Storage Temp.: Refrigerated.
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Sparingly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 122.048012819
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

4-Aminonicotinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-43-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1N)C=O
• Uses: 4-Aminonicotinaldehyde acts as a reagent used in the preparation of 2,3-disubstituted 1,6-naphthyridines as a potential diurectic agents.

Technology Process of 4-Aminonicotinaldehyde

There total 10 articles about 4-Aminonicotinaldehyde 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: 90.0%

4--3-pyridinecarboxaldehyde (116026-93-8) → 4-aminonicotinaldehyde (42373-30-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm9902483

Reference yield: 87.0%

N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide (86847-71-4) → 4-aminonicotinaldehyde (42373-30-8)

Guidance literature:

In HCl (aq.);

Reference yield: 59.0%

4-nitro-3-pyridinecarbaldehyde 1-oxide (266353-32-6) → 4-aminonicotinaldehyde (42373-30-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; under 760 Torr;

DOI:10.1016/S0223-5234(00)00103-3

upstream raw materials:

N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide

4--3-pyridinecarboxaldehyde

4-nitro-3-pyridinecarbaldehyde 1-oxide

3-methyl-4-nitropyridine N-oxide

Downstream raw materials:

[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methanol

4-aminopyridine-3-carbonitrile

2-[(2-diphenylphosphoryl)hept-1-yl]-1,6-naphthyridine

2-[1-(diphenylphosphoryl)ethyl]-1,6-naphthyridine

Refernces

• 1、 Dev, Kapil,Ramakrishna,Maurya, Saransh Wales,Siddiqui, Ibadur Rahman,Kant, Ruchir,Maurya, Rakesh. "Ugi three-component reaction of alcohols, amines and isocyanides: A new approach to the synthesis of cyclic amidines". supporting information. p. 1202 - 1206. Retrieved 2017/03/02.
• 2、 -. "Substituted Heterocyclic Aza Compounds". Paragraph 0817. . Retrieved 2013/03/26.