Amphimedine

Base Information

• Chemical Name: Amphimedine
• CAS No.: 86047-14-5
• Molecular Formula: C₁₉H₁₁N₃O₂
• Molecular Weight: 313.315
• Hs Code.: 2933990090
• NSC Number: 377099
• UNII: 8VI87R49CG
• DSSTox Substance ID: DTXSID90235364
• Nikkaji Number: J246.974J
• Wikidata: Q83117257
• Metabolomics Workbench ID: 167781
• Mol file: 86047-14-5.mol

Synonyms:amphimedine

Chemical Property of Amphimedine

Chemical Property:

• Vapor Pressure: 1.71E-16mmHg at 25°C
• Melting Point: >340 °C(Solv: ethanol (64-17-5))
• Boiling Point: 644.3°Cat760mmHg
• PKA: 0.60±0.20(Predicted)
• Flash Point: 343.5°C
• PSA: 64.85000
• Density: 1.51g/cm³
• LogP: 2.69310
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 313.085126602
• Heavy Atom Count: 24
• Complexity: 668

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C2C(=CC1=O)C3=NC4=CC=CC=C4C5=C3C(=NC=C5)C2=O

Technology Process of Amphimedine

There total 32 articles about Amphimedine 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: 96.0%

desmethylamphimedine (114552-31-7) + dimethyl sulfate (77-78-1) → amphimedine (86047-14-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 23 ℃; for 3h;

DOI:10.1021/ja00220a062

Reference yield: 92.0%

deoxyamphimedine → amphimedine (86047-14-5)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); In water; at 0 ℃; for 0.583333h; Reagent/catalyst;

DOI:10.1021/acs.joc.5b02312

Reference yield: 52.0%

4-methoxybenzyl-5-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-benzo[c][2,7]naphthyridine-4-carboxylate → amphimedine (86047-14-5)

Guidance literature:

With polyphosphoric acid; at 160 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02009

upstream raw materials:

5-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-3,6-phenanthroline-4-carbonitrile

desmethylamphimedine

dimethyl sulfate

2-Chloro-7-methyl-4-(2-nitro-phenyl)-7H-1,7-diaza-anthracene-6,9,10-trione

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