5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine

Base Information

• Chemical Name: 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine
• CAS No.: 84803-67-8
• Molecular Formula: C16H16N2O
• Molecular Weight: 252.316
• Hs Code.: 2933990090
• European Community (EC) Number: 284-194-4
• UNII: CQR24Q6RTF
• DSSTox Substance ID: DTXSID70233848
• Nikkaji Number: J24.608E
• Wikidata: Q72437688
• ChEMBL ID: CHEMBL1620452
• Mol file: 84803-67-8.mol

Synonyms:84803-67-8;5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine;EINECS 284-194-4;1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone;1-(3-amino-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone;5-acetyl-10,11-dihydro-5H-dibenz[b,f]azepin-3-amine;5-ACETYL-3-AMINOIMINODIBENZYL;CBMicro_033926;ChemDiv1_020054;CQR24Q6RTF;Oprea1_479287;Oprea1_633844;CHEMBL1620452;SCHEMBL19224983;HMS643P12;5H-Dibenz[b,f]azepin-3-amine, 5-acetyl-10,11-dihydro-;DTXSID70233848;STK830957;AKOS000549057;EU-0069195;FT-0641981;A840929;SR-01000409122;SR-01000409122-1;3-amino-5-acetyl-10,11-dihydro-5h-dibenz[b,f]azepine;5-Acetyl-3-amino-10,11-dihydro-5H-dibenz[b,f]azepine;1-(3-Amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)ethanone;Ethanone, 1-(3-amino-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)-

Chemical Property of 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine

Chemical Property:

• Vapor Pressure: 4.51E-11mmHg at 25°C
• Melting Point: 142.0～153.0℃
• Refractive Index: 1.643
• Boiling Point: 523.9 °C at 760 mmHg
• Flash Point: 270.7 °C
• PSA: 46.33000
• Density: 1.21 g/cm³
• LogP: 3.69820
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.126263138
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

5-Acetyl-3-aminoiminodibenzyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N
• Uses: 5-Acetyl-3-aminoiminodibenzyl is used as a reagent in the synthesis of Bonnecor, a new antiarrhythmic.

Technology Process of 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine

There total 3 articles about 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine 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: 77.0%

3-nitro-5-acetyl-10,11-dihydro-5H-dibenzazepine (79752-03-7) → 3-amino-5-acetyl-10,11-dihydro-5H-dibenzazepine (84803-67-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;

Reference yield:

9,10-dihydrodibenzazepine (494-19-9) → 3-amino-5-acetyl-10,11-dihydro-5H-dibenzazepine (84803-67-8)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid / 2 h / 110 °C

2: sulfuric acid; nitric acid / 0.5 h / 0 °C

3: palladium on activated charcoal; hydrogen / methanol / 2 h / 20 °C

With sulfuric acid; palladium on activated charcoal; hydrogen; nitric acid; acetic acid; In methanol;

Reference yield:

5-acetyliminodibenzyl (13080-75-6) → 3-amino-5-acetyl-10,11-dihydro-5H-dibenzazepine (84803-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 0.5 h / 0 °C

2: palladium on activated charcoal; hydrogen / methanol / 2 h / 20 °C

With sulfuric acid; palladium on activated charcoal; hydrogen; nitric acid; In methanol;

upstream raw materials:

9,10-dihydrodibenzazepine

5-acetyliminodibenzyl

3-nitro-5-acetyl-10,11-dihydro-5H-dibenzazepine

Downstream raw materials:

ethyl (5-(N-ethylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

ethyl (5-(3-(N,N-diethylamino)propanoyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

3-Carbisopropoxyamino-5-β-chlorpropionyl-iminodibenzyl

3-carbethoxyamino-5-dimethylaminoacetyl-10,11-dihydro-5H-dibenzazepine