9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Base Information

Chemical Name:9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS No.:82408-04-6
Molecular Formula:C21H21N3O3
Molecular Weight:363.416
Hs Code.:
NSC Number:186223
ChEMBL ID:CHEMBL1864896
Mol file:82408-04-6.mol

Synonyms:82408-04-6;NSC186223;Antioxidant agent-7;3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one;14,14-dimethyl-10-(4-nitrophenyl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7-tetraen-12-one;3,3-Dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo(b,e)[1,4]diazepin-1-one;NSC 186223;Bionet1_002306;Cambridge id 5325907;Oprea1_063801;Oprea1_349973;Oprea1_688109;MLS001077210;CHEMBL1864896;HMS574P08;HMS2781E19;STK741833;STK977152;AKOS000621976;AKOS005640692;AKOS016340005;HY-W274194;NSC-186223;WAY-299905;SMR000472993;CS-0319382;3M-729;AB00080862-01;11-(4-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one;3,3-dimethyl-11-(4-nitrophenyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol;14,14-Dimethyl-10-(4-nitrophenyl)-2,9-diazatricyclo[9.4.0.0(3,8)]pentadeca-1(11),3,5,7-tetraen-12-one

Suppliers and Price of 9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-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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price

Total 8 raw suppliers

Chemical Property of 9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Chemical Property:

Vapor Pressure:8.23E-13mmHg at 25°C
Boiling Point:565.5°Cat760mmHg
Flash Point:295.8°C
PSA：86.95000
Density:1.31g/cm³
LogP:5.61590
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:363.15829154
Heavy Atom Count:27
Complexity:644

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

Technology Process of 9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one

There total 9 articles about 9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-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: 99.0%

: 555-16-8
4-nitrobenzaldehdye

: 126-81-8
dimedone

: 95-54-5
1,2-diamino-benzene

: 82408-04-6
3,3-dimethyl-2,3,4,5,10,11-hexahydro-11-[(4-nitro)phenyl]-1H-dibenzo[b,e][1,4]diazepin-1-one

Guidance literature:: dimedone; 1,2-diamino-benzene; With guanidineacetic acid-modified Fe₃O₄(at)SiO₂nanocomposites-immobilized copper(II); In ethanol; at 20 ℃;

4-nitrobenzaldehdye; In ethanol; at 60 ℃; Reagent/catalyst; Solvent; Temperature;
DOI:10.1002/aoc.3448