2,4-Diaminopyridine

Base Information

• Chemical Name: 2,4-Diaminopyridine
• CAS No.: 461-88-1
• Molecular Formula: C5H7N3
• Molecular Weight: 109.131
• Hs Code.: 2933399090
• European Community (EC) Number: 824-198-0
• UNII: 96832TI6EN
• DSSTox Substance ID: DTXSID30196723
• Nikkaji Number: J79.624G
• Wikidata: Q27122671
• Metabolomics Workbench ID: 57802
• ChEMBL ID: CHEMBL338573
• Mol file: 461-88-1.mol

Synonyms:2,4-diaminopyridine

Chemical Property of 2,4-Diaminopyridine

Chemical Property:

• Vapor Pressure: 2.62E-05mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.676
• Boiling Point: 358 °C at 760 mmHg
• PKA: 9.41±0.11(Predicted)
• Flash Point: 197.6 °C
• PSA: 64.93000
• Density: 1.251 g/cm³
• LogP: 1.40840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 109.063997236
• Heavy Atom Count: 8
• Complexity: 74.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Pyridinediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1N)N
• Uses: 2,4-Pyridinediamine was studies for its interaction with cholinesterase inhibitors, neostigmine (N390010) and edrophonium (E336000) as a combined treatment for the restoration of muscle contraction. E xperiments have shown the doses of neostigmine and edrophonium could be halved when they were combined with a small small amount of 2,4-pyridinediamine without apparent loss of antagonistic potency. 2,4-Pyridinediamine was studies for its interaction with cholinesterase inhibitors, neostigmine (N390010) and edrophonium (E336000) as a combined treatment for the restoration of muscle contraction. Experiments have shown the doses of neostigmine and edrophonium could be halved when they were combined with a small small amount of 2,4-pyridinediamine without apparent loss of antagonistic potency.

Technology Process of 2,4-Diaminopyridine

There total 6 articles about 2,4-Diaminopyridine 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: 80.0%

2,4-Diamino-5-pyridincarbonsaeure (75776-48-6) → pyridine-2,4-diamine (461-88-1)

Guidance literature:

at 60 ℃;

Reference yield: 70.0%

2,4-bis<(ethoxycarbonyl)amino>pyridine (72921-87-0) → pyridine-2,4-diamine (461-88-1)

Guidance literature:

With potassium hydroxide; In ethanol; for 6h; Heating;

DOI:10.1021/jm00178a008

Reference yield:

2-bromo-3-cyano-4,6-diamino-pyridine (42530-03-0) → pyridine-2,4-diamine (461-88-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / NaOH, H₂ / 5percent Pd/BaSO₄ / methanol / 2 h / 2250.2 Torr

2: 60 percent / 10percent ethanolic NaOH / 5 h / Heating

3: 80 percent / 60 °C

With sodium hydroxide; hydrogen; Pd-BaSO₄; In methanol;

upstream raw materials:

pyridine

2,4-bis<(ethoxycarbonyl)amino>pyridine

2,4-Diamino-5-pyridincarbonsaeure

2-bromo-3-cyano-4,6-diamino-pyridine

Downstream raw materials:

2,4-diamino-3-fluoropyridine

2,4-diamino-3-bromopyridine

2,4-diamino-3,5-dibromopyridine

C₁₇H₁₅N₅O₂