5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-

Base Information

Chemical Name:5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-
CAS No.:13137-17-2
Molecular Formula:C17H19N3O
Molecular Weight:281.3523
Hs Code.:
DSSTox Substance ID:DTXSID50157013
Nikkaji Number:J74.761K
Wikidata:Q83025141
ChEMBL ID:CHEMBL99486

Synonyms:BRN 0892754;5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-;10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-;13137-17-2;Desmethylnoveril;CHEMBL99486;DTXSID50157013;STBMTRPPGSYEFD-UHFFFAOYSA-N;LS-60930;10-[2-(Dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one;10-[2-(Dimethylamino)ethyl]-5,10-dihydro-11H-dibenzo[b,E][1,4]diazepin-11-one #;11H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-

Chemical Property:

Vapor Pressure:1.48E-08mmHg at 25°C
Boiling Point:457.5°C at 760 mmHg
Flash Point:230.5°C
Density:1.147g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:281.152812238
Heavy Atom Count:21
Complexity:371

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O

Technology Process of 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-

There total 6 articles about 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)- 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: 76.0%

: 826991-72-4
2-amino-N-(2-iodo-phenyl)-N-(2-dimethylamino-ethyl)-benzamide

: 13137-17-2
10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; palladium diacetate; In toluene; at 110 ℃; for 24h;
DOI:10.1016/j.tet.2004.10.061

Reference yield:

: 34489-87-7
N-(2-iodo-phenyl)-2-nitro-benzamide

: 13137-17-2
10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / NaOH; K₂CO₃; tetrabutylammonium hydrogen sulphate / benzene / 12 h / 70 - 80 °C

2: 70 percent / AcOH; Fe dust / ethanol / 5 h / Heating

3: 76 percent / Cs₂CO₃; BINAP / Pd(OAc)2 / toluene / 24 h / 110 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; iron; potassium carbonate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; acetic acid; palladium diacetate; In ethanol; toluene; benzene; 3: Buchwald-Hartwig amination;
DOI:10.1016/j.tet.2004.10.061

Reference yield:

: 615-43-0
2-iodophenylamine

: 13137-17-2
10-(2-dimethylamino-ethyl)-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one

Guidance literature:: Multi-step reaction with 4 steps

1: 80 percent / triethylamine / CH₂Cl₂ / 5 h / 20 °C

2: 98 percent / NaOH; K₂CO₃; tetrabutylammonium hydrogen sulphate / benzene / 12 h / 70 - 80 °C

3: 70 percent / AcOH; Fe dust / ethanol / 5 h / Heating

4: 76 percent / Cs₂CO₃; BINAP / Pd(OAc)2 / toluene / 24 h / 110 °C

With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate; iron; potassium carbonate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; acetic acid; triethylamine; palladium diacetate; In ethanol; dichloromethane; toluene; benzene; 4: Buchwald-Hartwig amination;
DOI:10.1016/j.tet.2004.10.061