3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Base Information

Chemical Name:3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
CAS No.:145628-73-5
Molecular Formula:C₁₉H₂₀N₂OS
Molecular Weight:324.447
Hs Code.:
DSSTox Substance ID:DTXSID801126681,DTXSID601131874
ChEMBL ID:CHEMBL1698394

Synonyms:145628-73-5;3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;9,9-dimethyl-6-thiophen-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one;14,14-dimethyl-10-(thiophen-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one;3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one;Cambridge id 5326034;Oprea1_469445;Oprea1_657475;Oprea1_769514;CHEMBL1698394;DWCFHVFCERGUIS-UHFFFAOYSA-N;DTXSID601131874;DTXSID801126681;HMS2737P10;CCG-17600;MFCD00218700;STK073470;STK868320;AKOS000622008;AKOS005390367;AKOS016340008;CS-0324337;EU-0006746;3M-718;AB00080871-01;AJ-077/33270037;11-(thiophen-2-yl)-3,3-dimethyl-2,3,4,5,10,11-hexahydrodibenzo[b,e][1,4]diazepin-1-one;3,3-dimethyl-11-(2-thienyl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol;3,3-dimethyl-11-(thiophen-2-yl)-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol;3,4,10,11-Tetrahydro-3,3-dimethyl-11-(2-thienyl)-2H-dibenzo[b,e][1,4]diazepin-1-ol;2,3,4,5,10,11-Hexahydro-3,3-dimethyl-11-(2-thienyl)-1H-dibenzo[b,e][1,4]diazepin-1-one;364338-45-4

Suppliers and Price of 3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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 1 raw suppliers

Chemical Property of 3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:324.12963444
Heavy Atom Count:23
Complexity:528

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CS4)C(=O)C1)C

Technology Process of 3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

There total 8 articles about 3,3-dimethyl-11-(2-thienyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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: 94.0%

: 98-03-3
thiophene-2-carbaldehyde

: 126-81-8
dimedone

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

: 145628-73-5
3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Guidance literature:: With silica-supported nickel oxide nanocomposites; In ethanol; at 70 ℃; for 0.166667h; Microwave irradiation; Green chemistry;
DOI:10.1039/c6nj04013f

Reference yield:

: 98-03-3
thiophene-2-carbaldehyde

: 39222-69-0
3-[(2-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

: 145628-73-5
3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Guidance literature:: In isopropyl alcohol; Heating;
DOI:10.1007/s10593-005-0098-3

Reference yield:

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

: 145628-73-5
3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid / water / 0.33 h / 20 °C

2: water / 0.3 h / 100 °C / Microwave irradiation

With acetic acid; In water;
DOI:10.1002/jhet.1988