Dibenzo[b,f][1,4]thiazepin-11(10H)-one

Base Information Edit

Chemical Name:Dibenzo[b,f][1,4]thiazepin-11(10H)-one
CAS No.:3159-07-7
Molecular Formula:C13H9NOS
Molecular Weight:227.287
Hs Code.:2934990002
European Community (EC) Number:438-020-0,608-646-0
NSC Number:653252
UNII:FL6FG1E3WF
DSSTox Substance ID:DTXSID10953553
Nikkaji Number:J1.410.142J
Wikidata:Q72465825
ChEMBL ID:CHEMBL598054
Mol file:3159-07-7.mol

Synonyms:10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine;3159-07-7;Dibenzo[b,f][1,4]thiazepin-11(10H)-one;5H-benzo[b][1,4]benzothiazepin-6-one;dibenzothiazepinone;dibenzo[b,f][1,4]thiazepine-11-[10h]one;FL6FG1E3WF;UNII-FL6FG1E3WF;NSC653252;Dibenzothiazepinone [USP];GNF-Pf-769;10H-Dibenzo[b,f][1,4]thiazepin-11-one;Dibenzo(b,f)(1,4)thiazepin-11(10H)-one;Quetiapine fumarate impurity G [EP];MFCD00901197;NSC-653252;dibenzo[b,f][1,4]thiazepine-11(10-H)-one;dibenzo[b,f][1,4]thiazepine-11-(10H)one;Dibenzo[b,f][1,4]thiazepinone;10,11-dihydro-11-oxodibenz[b,f][1,4]thiazepine;DIBENZO(B,F)(1,4)THIAZEPINE-11(10-H)-ONE;10,11-DIHYDRO-11-OXODIBENZ(B,F)(1,4)THIAZEPINE;10,11-DIHYDRO-11-OXODIBENZO(B,F)(1,4)THIAZEPINE;Quetiapine Impurity G;Quetiapine Impurtiy G;Dibenzo[b,4]thiazepinone;SCHEMBL8988;MLS000698398;CHEMBL598054;DTXSID10953553;HMS2666M13;{Dibenzo[b,f][1,4]thiazepinone};BCP30999;CS-M2280;Dibenzo[b,f][1,4]thiazepin-11-ol;AKOS005216133;AC-5341;CS-M-56459;dibenzo-[b,f][1,4]thiazepin-11-one;DS-0806;FS-3018;SB67310;dibenzo-[b,f] [1,4]thiazepin-11-one;DIBENZOTHIAZEPINONE [USP IMPURITY];SMR000224931;SY047017;10H-dibenzo[b,f][1,4]thiazepine-11-one;dibenz[b,f][1,4]thiazepin-11(10H)-one;AM20040155;D3693;dibenzo[b,f][1,4]thiazepine-11(10-H)one;FT-0600897;di-benzo[b,f ][1,4]thiazepin-11(10h)-one;Dibenzo[b,f][1,4]thiazepin-11(10H)-one #;O10365;5,6-Dihydro-6-oxodibenzo(b,f)-1,4-thiazepine;Dibenzo [b-f] [1-4]thiazepine 11-[10H]one;EN300-6732829;AE-641/30103015;10,11-dihydro-11-oxodibenz[b,f] [1,4]thiazepine;10,11-dihydrodibenzo[b,f][1,4] thiazepin-11-one;10,11-Dihydrodibenzo[b,f][1,4]thiazepin-11-one;Q-200955;QUETIAPINE FUMARATE IMPURITY G [EP IMPURITY];Z1741975613;1-(2,3-Dimethyl-1H-indol-6-yl)-N,N-dimethylmethanamine;2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one;2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one;10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine pound>>Dibenzo[b,f][1,4]thiazepin-11(10H)-one

Suppliers and Price of Dibenzo[b,f][1,4]thiazepin-11(10H)-one

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Dibenzo[b,f][1,4]thiazepine-11-[10H]one
1g
$ 55.00

TRC
Dibenzo[b,f][1,4]thiazepine-11-[10H]one
100mg
$ 55.00

TCI Chemical
Dibenzo[b,f][1,4]thiazepin-11(10H)-one >98.0%(HPLC)(N)
25g
$ 81.00

Medical Isotopes, Inc.
Dibenzo[b,f][1,4]thiazepine-11-[10H]one
5 g
$ 875.00

Matrix Scientific
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine 95+%
5g
$ 47.00

Matrix Scientific
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine 95+%
10g
$ 71.00

Matrix Scientific
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine 95+%
100g
$ 376.00

Crysdot
10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine 95+%
100g
$ 138.00

Chem-Impex
Dibenzo[β,f][1,4]thiazepin-11(10H)-one,≥98%(HPLC) ≥98%(HPLC)
25G
$ 91.29

Biosynth Carbosynth
Dibenzo[b,f][1,4]thiazepine-11-[10H]one
100 g
$ 180.00

Total 175 raw suppliers

Chemical Property of Dibenzo[b,f][1,4]thiazepin-11(10H)-one Edit

Chemical Property:

Appearance/Colour:off-white powder
Vapor Pressure:0.000647mmHg at 25°C
Melting Point:265 °C
Refractive Index:1.666
Boiling Point:309.2 °C at 760 mmHg
PKA:12.40±0.20(Predicted)
Flash Point:140.8 °C
PSA：54.40000
Density:1.292 g/cm³
LogP:3.54150
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly, Heated)
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:227.04048508
Heavy Atom Count:16
Complexity:281

Purity/Quality:

99% ^*data from raw suppliers

Dibenzo[b,f][1,4]thiazepine-11-[10H]one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2
Uses Dibenzo[b,f][1,4]thiazepine-11-[10H]one (Quetiapine EP Impurity G; Quetiapine Impurity G; Quetiapine USP-G) is an intermediate in the synthesis of quetiapine (Q510000).

Technology Process of Dibenzo[b,f][1,4]thiazepin-11(10H)-one

There total 46 articles about Dibenzo[b,f][1,4]thiazepin-11(10H)-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: 100.0%