7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile

Base Information

• Chemical Name: 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile
• CAS No.: 29924-57-0
• Molecular Formula: C20H13 N3 O
• Molecular Weight: 0
• NSC Number: 72842
• DSSTox Substance ID: DTXSID80291055
• Nikkaji Number: J111.447F
• Mol file: 29924-57-0.mol

Synonyms:29924-57-0;7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile;NSC72842;1, 7-benzoyl-7,8-dihydro-;DTXSID80291055;SUSVEGRGOYEOMQ-UHFFFAOYSA-N;1,7-Phenanthroline-8-carbonitrile, 7-benzoyl-7,8-dihydro-;NSC-72842;7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile #

Chemical Property of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile

Chemical Property:

• Vapor Pressure: 2.98E-13mmHg at 25°C
• Boiling Point: 575.6°C at 760 mmHg
• Flash Point: 301.9°C
• PSA: 56.99000
• Density: 1.35g/cm³
• LogP: 3.86558
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 311.105862047
• Heavy Atom Count: 24
• Complexity: 557

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=C3N=CC=C4)C#N

Technology Process of 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-carbonitrile

There total 1 articles about 7-Benzoyl-7,8-dihydro[1,7]phenanthroline-8-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:

trimethylsilyl cyanide (7677-24-9) + benzoyl chloride (98-88-4) + 1,7-phenanthroline (230-46-6) → 7-benzoyl-8-cyano-7,8-dihydro-1,7-phenanthroline (29924-57-0)

Guidance literature:

With aluminium trichloride; Yield given. Multistep reaction; 1. dichloromethane, 2 min; 2. room temperature, overnight;

Reference yield: 80.4%

7-benzoyl-8-cyano-7,8-dihydro-1,7-phenanthroline (29924-57-0) + methyl iodide (74-88-4) → 7-benzoyl-8-cyano-10-methyl-7,10-dihydro-1,7-phenanthroline (76795-60-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield: 76.0%

(2,4-dinitro-phenyl)-hydrazine (119-26-6) + 7-benzoyl-8-cyano-7,8-dihydro-1,7-phenanthroline (29924-57-0) → 1-benzylidene-2-(2,4-dinitrophenyl)hydrazone (1157-84-2)

Guidance literature:

With hydrogenchloride; Product distribution; 1.heating, 10 min, 2. room temperature, 2 h;

upstream raw materials:

trimethylsilyl cyanide

benzoyl chloride

1,7-phenanthroline

Downstream raw materials:

1-benzylidene-2-(2,4-dinitrophenyl)hydrazone

7-benzoyl-8-cyano-10-methyl-7,10-dihydro-1,7-phenanthroline

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