Perathiepin

Base Information

Chemical Name:Perathiepin
CAS No.:1526-83-6
Molecular Formula:C₁₉H₂₂N₂S
Molecular Weight:310.463
Hs Code.:
UNII:YR8C4WXJ4T
DSSTox Substance ID:DTXSID20934555
Nikkaji Number:J13.027C
Wikipedia:Perathiepin
Wikidata:Q7166950
ChEMBL ID:CHEMBL4553348
Mol file:1526-83-6.mol

Synonyms:Perathiepin;Perathiepine;1526-83-6;BRN 0624620;1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;YR8C4WXJ4T;10-(4-Methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepine;1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine;Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazino)-;1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine;Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-;5-23-02-00425 (Beilstein Handbook Reference);Piperazine, 1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-;Cesiumtriiodide;UNII-YR8C4WXJ4T;SCHEMBL3837897;CHEMBL4553348;DTXSID20934555;AKOS005065560;LS-111582;AE-641/00612004;SR-01000883698;Q7166950;SR-01000883698-1;10-(4-Methylpiperazino)-10,11-dihydrodibenzo[b,f]thiepin

Suppliers and Price of Perathiepin

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
PERATHIEPIN 95.00%
5MG
$ 503.47

Total 6 raw suppliers

Chemical Property of Perathiepin

Chemical Property:

Vapor Pressure:4.13E-07mmHg at 25°C
Boiling Point:415.4°Cat760mmHg
Flash Point:205°C
PSA：31.78000
Density:1.169g/cm³
LogP:3.55820
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.15036988
Heavy Atom Count:22
Complexity:366

Purity/Quality:

99% ^*data from raw suppliers

PERATHIEPIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C2CC3=CC=CC=C3SC4=CC=CC=C24

Technology Process of Perathiepin

There total 6 articles about Perathiepin 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:

: 22012-13-1
1-dibenzo[b,f]thiepin-10-yl-4-methyl-piperazine

: 1526-83-6,16926-38-8,16926-39-9
10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin

Guidance literature:: With sodium tetrahydroborate; In acetic acid; at 20 ℃; Inert atmosphere;
DOI:10.1016/j.ejmech.2016.04.058

Reference yield:

: 108-98-5
thiophenol

: 1526-83-6,16926-38-8,16926-39-9
10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin

Guidance literature:: Multi-step reaction with 4 steps

1: potassium hydroxide; copper / water / 24 h / 50 °C / Reflux

2: phosphorus pentoxide / 4 h / 150 °C

3: titanium(IV) isopropylate / toluene / 20 h / Inert atmosphere; Reflux

4: sodium tetrahydroborate / acetic acid / 20 °C / Inert atmosphere

With titanium(IV) isopropylate; sodium tetrahydroborate; phosphorus pentoxide; copper; potassium hydroxide; In water; acetic acid; toluene;
DOI:10.1016/j.ejmech.2016.04.058

Reference yield:

: 18698-96-9
o-iodophenylacetic acid

: 1526-83-6,16926-38-8,16926-39-9
10-(4-Methyl-piperazino)-10,11-dihydro-dibenzothiepin

Guidance literature:: Multi-step reaction with 4 steps

1: potassium hydroxide; copper / water / 24 h / 50 °C / Reflux

2: phosphorus pentoxide / 4 h / 150 °C

3: titanium(IV) isopropylate / toluene / 20 h / Inert atmosphere; Reflux

4: sodium tetrahydroborate / acetic acid / 20 °C / Inert atmosphere

With titanium(IV) isopropylate; sodium tetrahydroborate; phosphorus pentoxide; copper; potassium hydroxide; In water; acetic acid; toluene;
DOI:10.1016/j.ejmech.2016.04.058