6,11-Dihydro-5H-dibenzo[b,E]azepine

Base Information

• Chemical Name: 6,11-Dihydro-5H-dibenzo[b,E]azepine
• CAS No.: 449-55-8
• Molecular Formula: C14H13 N
• Molecular Weight: 195.264
• European Community (EC) Number: 207-188-5
• NSC Number: 88887
• DSSTox Substance ID: DTXSID20196333
• Nikkaji Number: J196.147K
• Wikidata: Q83069398
• ChEMBL ID: CHEMBL1571106
• Mol file: 449-55-8.mol

Synonyms:6,11-Dihydro-5H-dibenzo[b,E]azepine;449-55-8;6,11-dihydro-5H-benzo[c][1]benzazepine;6,11-Dihydro-5H-dibenz(b,e)azepine;6,11-dihydro-5H-dibenz[b,e]azepine;EINECS 207-188-5;Dibenz[b,e]azepin, 5,6(11H)dihydro-;5H-Dibenz[b,e]azepine, 6,11-dihydro-;5H-Dibenz(b,e)azepine, 6,11-dihydro-;dibenzoazepin;NSC88887;BAS 01952470;MLS000074137;SCHEMBL2087881;CHEMBL1571106;DTXSID20196333;HMS1684N22;HMS2407G22;NSC 88887;NSC-88887;AKOS000608518;5,6-dihydro-11H-dibenzo[b,e]azepine;6,11-dihydro-5H-di-benz[b,e]azepine;6,11-dihydro-5H-dibenz-[b,e]azepine;MRF-0000759;11H-Dibenz[b,E]azepine, 5,6-dihydro-;BS-48572;SMR000010944;6,11-Dihydro-5H-dibenzo[b,E]azepine #;A7111;BB 0253911;CS-0112646;FT-0677060;D77100;EN300-6746539;9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaene;9-azatricyclo[9.4.0.0?,?]pentadeca-1(15),3,5,7,11,13-hexaene

Chemical Property of 6,11-Dihydro-5H-dibenzo[b,E]azepine

Chemical Property:

• Vapor Pressure: 4.11E-05mmHg at 25°C
• Melting Point: 129-130 °C
• Boiling Point: 351.4°Cat760mmHg
• PKA: 4?+-.0.20(Predicted)
• Flash Point: 179.4°C
• PSA: 12.03000
• Density: 1.085g/cm³
• LogP: 3.34090
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

6,11-Dihydro-5H-dibenzo[b,e]azepine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CNC3=CC=CC=C31

Technology Process of 6,11-Dihydro-5H-dibenzo[b,E]azepine

There total 18 articles about 6,11-Dihydro-5H-dibenzo[b,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: 91.0%

Morphanthridine (256-86-0) → 6,11-dihydro-5H-dibenzo[b,e]azepine (449-55-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃;

DOI:10.1016/S0960-894X(01)00721-1

Reference yield: 90.0%

5,11-dihydro-6H-dibenz[b,e]azepin-6-one (1211-06-9) → 6,11-dihydro-5H-dibenzo[b,e]azepine (449-55-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 4h; Reflux;

DOI:10.1002/anie.202007799

Reference yield: 85.0%

(2-(benzylamino)phenyl)methanol (1722-07-2) → 6,11-dihydro-5H-dibenzo[b,e]azepine (449-55-8)

Guidance literature:

With sulfuric acid; In dichloromethane; at -40 - 20 ℃;

DOI:10.1016/S0960-894X(01)00721-1

upstream raw materials:

5,11-dihydro-6H-dibenz[b,e]azepin-6-one

5,6-dihydro-6,11-dioxomorphanthridine

Morphanthridine

(2-(benzylamino)phenyl)methanol

Downstream raw materials:

N-<3-Dimethylamino-propyl>-homoacridan

N-(2-Diethylamino-ethyl)-homoacridan

N-benzoyl-5,6-dihydro-11H-dibenzazepine

N-[4-[(6,11-Dihydro-5H-dibenz[b,e]azepin-5-yl)-carbonyl]phenyl]-2-methylbenzamide