5H-Dibenz(c,e)azepine

Base Information

• Chemical Name: 5H-Dibenz(c,e)azepine
• CAS No.: 316-31-4
• Molecular Formula: C14H11 N
• Molecular Weight: 193.248
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80185485
• Nikkaji Number: J79.594A
• Mol file: 316-31-4.mol

Synonyms:5H-Dibenz(c,e)azepine;5H-Dibenz[c,e]azepine;316-31-4;6-Azadibenzo(a,c)cycloheptatriene;SCHEMBL6508302;DTXSID80185485

Chemical Property of 5H-Dibenz(c,e)azepine

Chemical Property:

• Vapor Pressure: 3.03E-05mmHg at 25°C
• Boiling Point: 366.7°Cat760mmHg
• Flash Point: 167.9°C
• PSA: 12.36000
• Density: 1.09g/cm³
• LogP: 2.72170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 193.089149355
• Heavy Atom Count: 15
• Complexity: 246

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C3=CC=CC=C3C=N1

Technology Process of 5H-Dibenz(c,e)azepine

There total 1 articles about 5H-Dibenz(c,e)azepine 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: 11.5%

(6,7-Dihydro-5H-dibenzazepin-6-yl)aminotriphenylphosphonium-tetrafluoroborat → phenanthridine (229-87-8) + 5H-dibenzazepine (316-31-4)

Guidance literature:

With nitrosyl hexafluorophosphate; In acetonitrile; for 1h; Ambient temperature;

Reference yield: 36.0%

5H-dibenzazepine (316-31-4) + ethyl iodide (75-03-6) → 6-Ethyl-5H-dibenzazepine iodide (94242-94-1)

Guidance literature:

In benzene; for 12h;

DOI:10.1002/jhet.5570210427

Reference yield: 17.0%

5H-dibenzazepine (316-31-4) → 1a,9b-dihydro-1H-phenanthro<9,10-b>azirine (67464-46-4)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; hexane; 1.) -78 deg C, 3 h, 2.) 50 deg C, 48 h;

DOI:10.1021/jo00380a010

Downstream raw materials:

1a,9b-dihydro-1H-phenanthro<9,10-b>azirine

6-Ethyl-5H-dibenzazepine iodide

6-Ethyl-5H-dibenzazepine chloride

dimethyl 7-phenyl-6,7-dihydro-4bH-dibenzo[c,e]pyrrolo[1,2-a]azepine-5,5(9H)-dicarboxylate

Refernces