5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one

Base Information

Chemical Name:5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one
CAS No.:13450-72-1
Molecular Formula:C18H21N3O
Molecular Weight:295.38
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80158755
Nikkaji Number:J42.200B
Wikidata:Q83027070
ChEMBL ID:CHEMBL29330
Mol file:13450-72-1.mol

Synonyms:CI-579;U 17,660;U 17660;U-17,660;U-17660

Suppliers and Price of 5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 5 raw suppliers

Chemical Property of 5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one

Chemical Property:

Vapor Pressure:3.18E-06mmHg at 25°C
Boiling Point:387.9°C at 760 mmHg
Flash Point:188.4°C
PSA：39.07000
Density:1.128g/cm³
LogP:3.22670
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:295.168462302
Heavy Atom Count:22
Complexity:385

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31

Technology Process of 5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one

There total 3 articles about 5-(3-(Dimethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-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: 80.0%

: 109-55-7
1-amino-3-(dimethylamino)propane

: 2-bromo-N-(2-bromophenyl)-benzamide

: 13450-72-1
5-(3-Dimethylaminopropyl)-5,10-dihydro-11H-dibenzo-<1,4>-diazepin-11-on

Guidance literature:: With potassium phosphate; 1,10-Phenanthroline; copper(l) chloride; In N,N-dimethyl-formamide; at 20 - 50 ℃; Inert atmosphere;
DOI:10.1021/ol202721h

Reference yield:

: 5814-41-5
5,10-dihydro-11H-dibenzo[b,e][1,4]-diazepin-11-one

: 109-54-6
3-(Dimethylamino)propyl chloride

: 13450-72-1
5-(3-Dimethylaminopropyl)-5,10-dihydro-11H-dibenzo-<1,4>-diazepin-11-on

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) hexane, dioxane, RT, 2 h, 2.) hexane, dioxane, reflux, 17 h;
DOI:10.1021/jm00391a019

Reference yield:

: 13450-72-1
5-(3-Dimethylaminopropyl)-5,10-dihydro-11H-dibenzo-<1,4>-diazepin-11-on

Guidance literature:: Rk. der Na-Verb. /BRN= 762291/ mit (CH3)2N-3Cl / sd. Benzol, Hydrierung des Nitroesters mit Pd-Kohle / Ethanol (20grad, Normaldruck); Erhitzen des Rk-prod. in Xylol;
DOI:10.1002/hlca.19630460652