1,10-phenanthroline-5-carboxylic Acid

Base Information

• Chemical Name: 1,10-phenanthroline-5-carboxylic Acid
• CAS No.: 630067-06-0
• Molecular Formula: C13H8N2O2
• Molecular Weight: 224.219
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90392542
• Nikkaji Number: J2.246.488D
• Wikidata: Q72500843
• Mol file: 630067-06-0.mol

Synonyms:1,10-phenanthroline-5-carboxylic Acid;630067-06-0;1,10-Phenanthroline-5-carboxylicacid;YSWG031;SCHEMBL679992;DTXSID90392542;MFCD06255104;STL490573;AKOS000275014;CS-W004571;AS-63023;FT-0649845;C16119;A846130

Chemical Property of 1,10-phenanthroline-5-carboxylic Acid

Chemical Property:

• Vapor Pressure: 1.57E-09mmHg at 25°C
• Melting Point: 335-337 °C (decomp)(Solv: methanol (67-56-1))
• Refractive Index: 1.769
• Boiling Point: 467.2 °C at 760 mmHg
• PKA: 1.83±0.30(Predicted)
• Flash Point: 236.3 °C
• PSA: 63.08000
• Density: 1.431 g/cm³
• LogP: 2.48120
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.058577502
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

1,10-Phenanthroline-5-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C(=O)O

Technology Process of 1,10-phenanthroline-5-carboxylic Acid

There total 1 articles about 1,10-phenanthroline-5-carboxylic Acid 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:

5-cyano-1,10-phenanthroline (1082-21-9) → 1,10-phenanthroline-5-carboxylic acid (630067-06-0)

Guidance literature:

With sodium hydroxide; In water; Reflux;

Reference yield: 81.0%

1,10-phenanthroline-5-carboxylic acid (630067-06-0) → 5-Nitro-1,10-phenanthroline (4199-88-6)

Guidance literature:

With nitronium tetrafluoborate; silver carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.5b02133

Reference yield: 74.3%

1,10-phenanthroline-5-carboxylic acid (630067-06-0) + (6-ammoniohexyl)triphenylphosphonium bromide + HATU (200731-31-3,148893-10-1) → (6-(1,10-phenanthroline-5-carboxamido)hexyl)triphenylphosphonium bromide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jacs.1c01424

upstream raw materials:

5-cyano-1,10-phenanthroline

Downstream raw materials:

5-Nitro-1,10-phenanthroline