5H,7H-Dibenzo[b,d]azepin-6-one

Base Information

• Chemical Name: 5H,7H-Dibenzo[b,d]azepin-6-one
• CAS No.: 20011-90-9
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2933990090
• European Community (EC) Number: 899-810-2
• DSSTox Substance ID: DTXSID60463718
• Nikkaji Number: J1.731.679F
• Wikidata: Q82288731
• Mol file: 20011-90-9.mol

Synonyms:20011-90-9;5H,7H-Dibenzo[b,d]azepin-6-one;5H-Dibenzo[b,d]azepin-6(7H)-one;5,7-DIHYDROBENZO[D][1]BENZAZEPIN-6-ONE;6H-Dibenz[b,d]azepin-6-one, 5,7-dihydro-;5,7-dihydro-6H-dibenzo[b,d]azepin-6-one;MFCD11847160;5,7-Dihydro-6H-dibenz[b,d]azepin-6-one;SCHEMBL2825070;DTXSID60463718;XENVIBFIIPSBJW-UHFFFAOYSA-N;CS-B0839;AKOS022173341;SY209091;5, 7-dihydrobenzo[d][1]benzazepin-6-one;5,7-dihydro-benzo[d][3]benzazepin-6-one;FT-0666429;EN300-252768;F31307;Z1509141950;8-azatricyclo[9.4.0.0,2,7]pentadeca-1(15),2,4,6,11,13-hexaen-9-one

Chemical Property of 5H,7H-Dibenzo[b,d]azepin-6-one

Chemical Property:

• Vapor Pressure: 2.18E-08mmHg at 25°C
• Boiling Point: 452.8°C at 760 mmHg
• Flash Point: 269.8°C
• PSA: 29.10000
• Density: 1.186g/cm³
• LogP: 2.98620
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

5H,7H-Dibenzo[b,d]azepin-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C3=CC=CC=C3NC1=O

Technology Process of 5H,7H-Dibenzo[b,d]azepin-6-one

There total 21 articles about 5H,7H-Dibenzo[b,d]azepin-6-one 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%

2-(2-iodophenyl)-N-phenylacetamide (540803-89-2) → 5H,7H-dibenzo[b,d]azepin-6-one (20011-90-9)

Guidance literature:

With 1,10-Phenanthroline; potassium tert-butylate; In benzene; at 81 ℃; for 24h;

DOI:10.15227/orgsyn.090.0164

Reference yield: 82.5%

N-([1,1'-biphenyl]-2-yl)-2-chloroacetamide (23088-28-0) → 5H,7H-dibenzo[b,d]azepin-6-one (20011-90-9)

Guidance literature:

With aluminum (III) chloride; In 1,3-Dichlorobenzene; at 170 ℃; for 24h;

Reference yield: 82.0%

methyl 2-(2-bromophenyl)acetate (57486-69-8) + 2-anilineboronic acid pinacol ester (191171-55-8) → 5H,7H-dibenzo[b,d]azepin-6-one (20011-90-9)

Guidance literature:

methyl 2-(2-bromophenyl)acetate; 2-anilineboronic acid pinacol ester; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate; In 1,2-dimethoxyethane; at 125 ℃; for 0.5h; Microwave irradiation; Inert atmosphere; Sealed tube;

With potassium tert-butylate; In tetrahydrofuran; 1,2-dimethoxyethane; at 0 - 20 ℃; for 0.166667h; Reagent/catalyst; Solvent; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2013.03.065

upstream raw materials:

N-([1,1'-biphenyl]-2-yl)-2-chloroacetamide

(2'-nitro-biphenyl-2-yl)-acetic acid methyl ester

2-{2'-amino-[1,1'-biphenyl]-2-yl}acetonitrile

(2'-cyanomethylbiphenyl-2-yl)carbamic acid tert-butyl ester

Downstream raw materials:

N-methyl-5H-dibenzo[b,d]azepin-6(7H)-one

7-amino-5-methyl-5H-dibenzo[b,d]azepin-6(7H)-one hydrochloride

7-methyl-5-oximo-5,7-dihydro-6H-dibenz[b,d]azepin-6-one

7-(L-alaninyl)-amino-5-methyl-5,7-dihydro-6H-dibenz[b,d]azepin-6-one