4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide

Base Information

Chemical Name:4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide
CAS No.:74667-82-6
Molecular Formula:C₂₂H₂₈N₂O₄S₂
Molecular Weight:448.607
Hs Code.:
DSSTox Substance ID:DTXSID30996184
Mol file:74667-82-6.mol

Synonyms:74667-82-6;BRN 4597397;VUFB-12357;4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide;1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-, 1-oxide;DTXSID30996184;C22H28N2O4S2;AKOS005066101;C22-H28-N2-O4-S2;LS-113335;1-Piperazinepropanol,4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)t hiepin-10-yl)-,1-oxide;3-{4-[8-(Methanesulfonyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-oxo-1lambda~5~-piperazin-1-yl}propan-1-ol

Suppliers and Price of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide

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
Packaging
price

American Custom Chemicals Corporation
4-(10,11-DIHYDRO-8-(METHYLSULFONYL)DIBENZO(B,F)THIEPIN-10-YL)-1-PIPERAZINEPROPANOL-1-OXIDE 95.00%
5MG
$ 503.35

Total 0 raw suppliers

Chemical Property of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide

Chemical Property:

PSA：120.72000
LogP:3.82860
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:448.14904973
Heavy Atom Count:30
Complexity:675

Purity/Quality:: 4-(10,11-DIHYDRO-8-(METHYLSULFONYL)DIBENZO(B,F)THIEPIN-10-YL)-1-PIPERAZINEPROPANOL-1-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-]

Technology Process of 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide

There total 3 articles about 4-(10,11-Dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide 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: 89.0%

: 74667-71-3
10-<4-(3-hydroxypropyl)piperazino>-8-methylsulfonyl-10,11-dihydrodibenzothiepin

: 74667-82-6
10-<4-(3-hydroxypropyl)piperazino>-8-methylsulfonyl-10,11-dihydrodibenzothiepin N⁴-oxide

Guidance literature:: With dihydrogen peroxide; In ethanol; for 48h; Ambient temperature;
DOI:10.1135/cccc19800529

Reference yield:

: 5317-32-8
3-(1-piperazinyl)-1-propanol

: 74667-82-6
10-<4-(3-hydroxypropyl)piperazino>-8-methylsulfonyl-10,11-dihydrodibenzothiepin N⁴-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / CHCl₃ / 14 h / Heating

2: 89 percent / 28percent H₂O₂ / aq. ethanol / 48 h / Ambient temperature

With dihydrogen peroxide; In ethanol; chloroform;
DOI:10.1135/cccc19800529

Reference yield:

: 16185-20-9
10-chloro-8-methylsulfonyl-10,11-dihydrodibenzothiepin

: 74667-82-6
10-<4-(3-hydroxypropyl)piperazino>-8-methylsulfonyl-10,11-dihydrodibenzothiepin N⁴-oxide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / CHCl₃ / 14 h / Heating

2: 89 percent / 28percent H₂O₂ / aq. ethanol / 48 h / Ambient temperature

With dihydrogen peroxide; In ethanol; chloroform;
DOI:10.1135/cccc19800529