1,10-Phenanthroline-2-carbonitrile

Base Information

• Chemical Name: 1,10-Phenanthroline-2-carbonitrile
• CAS No.: 1082-19-5
• Molecular Formula: C13H7N3
• Molecular Weight: 205.219
• Hs Code.: 2933990090
• European Community (EC) Number: 808-717-8
• DSSTox Substance ID: DTXSID80350474
• Nikkaji Number: J1.746.322E
• Wikidata: Q72500835
• Mol file: 1082-19-5.mol

Synonyms:1,10-phenanthroline-2-carbonitrile;1082-19-5;2-cyano-1,10-phenanthroline;[1,10]phenanthroline-2-carbonitrile;Oprea1_671373;AMY121;SCHEMBL1996991;DTXSID80350474;LSMQCFPLQFCYAW-UHFFFAOYSA-N;BAA08219;MFCD18431788;AS-75783;CS-0144693;FT-0723973;D95582

Chemical Property of 1,10-Phenanthroline-2-carbonitrile

Chemical Property:

• Melting Point: 241℃ (ethanol )
• Boiling Point: 445.3±25.0 °C(Predicted)
• PKA: 4.00±0.10(Predicted)
• PSA: 49.57000
• Density: 1.33±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 2.65468
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 205.063997236
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

1,10-Phenanthroline-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=C(C=C2)C=CC(=N3)C#N)N=C1

Technology Process of 1,10-Phenanthroline-2-carbonitrile

There total 7 articles about 1,10-Phenanthroline-2-carbonitrile 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: 92.0%

1,10-phenanthroline N-oxide (1891-19-6) + potassium cyanide (151-50-8) → 1,10-phenanthroline-2-carbonitrile (1082-19-5)

Guidance literature:

With benzoyl chloride;

DOI:10.1002/jhet.5570230403

Reference yield: 79.0%

potassium cyanide + 1,10-phenanthroline N-oxide (1891-19-6) → 1,10-phenanthroline-2-carbonitrile (1082-19-5)

Guidance literature:

With benzoyl chloride; In water; at 20 ℃;

DOI:10.3390/molecules26247630

Reference yield: 59.0%

1,10-Phenanthroline (66-71-7) + trimethylsilyl cyanide (7677-24-9) → 1,10-phenanthroline-2-carbonitrile (1082-19-5)

Guidance literature:

1,10-Phenanthroline; With trifluoromethylsulfonic anhydride; In chloroform; at 20 ℃; for 1h; Inert atmosphere; Sealed tube;

trimethylsilyl cyanide; In chloroform; at 60 ℃; for 3h; Inert atmosphere; Sealed tube;

With 4-methyl-morpholine; In chloroform; at 60 ℃; for 17h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201703931

upstream raw materials:

1,10-phenanthroline N-oxide

potassium cyanide

1,10-Phenanthroline

1,10-phenanthroline-2-carboaldoxime

Downstream raw materials:

methyl 1,10-phenanthroline-2-carboxylate

2-(1.10-Phenanthrolyl)-hydrazidin

1,10-Phenanthrolin-2-carbonamid

(4S,5R)-(+)-4-methyl-5-phenyl-2-(2-phenanthrolinyl)-2-oxazoline