Quetiapine Hydroxy Impurity

Base Information

Chemical Name:Quetiapine Hydroxy Impurity
CAS No.:329216-67-3
Molecular Formula:C19H21N3OS
Molecular Weight:339.461
Hs Code.:
European Community (EC) Number:700-085-0,828-223-6
UNII:5GWY87J9I4
DSSTox Substance ID:DTXSID001211254
Nikkaji Number:J1.487.726F
ChEMBL ID:CHEMBL127823
Mol file:329216-67-3.mol

Synonyms:Quetiapine Hydroxy Impurity;329216-67-3;2-4-(2-Hydroxyethyl)piperazin-1-yldithiazepin;2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethanol;Des-hydroxyethyl quetiapine;Quetiapine Hydroxy Impurity Dihydrochloride Salt;5GWY87J9I4;CHEMBL127823;2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethanol;EC 700-085-0;329218-14-6;2-(4-(Dibenzo(b,f)(1,4)thiazepin-11-yl)piperazin-1-yl) ethanol;Desethoxy Quetiapine (hydrochloride);Quetiapine EP Impurity I;2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol;2-[4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl]ethanol;2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHANOL;Desethoxy Quetiapine;QUETIAPINE DESETHOXY;UNII-5GWY87J9I4;SCHEMBL2080473;OFLMIXVKBNAUIB-UHFFFAOYSA-N;DTXSID001211254;BDBM50102315;STL384226;AKOS025250075;CCG-357083;CS-O-14070;MRF-0000746;BS-28295;QUETIAPINE DESETHOXY [USP IMPURITY];LS-191580;CS-0208074;FT-0674258;Quetiapine Impurity 2(Quetiapine EP Impurity I;J-018938;QUETIAPINE FUMARATE IMPURITY I [EP IMPURITY];4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol;11-[4-(2-Hydroxyethyl)piperazino]dibenzo[b,f][1,4]thiazepine;1-PIPERAZINEETHANOL, 4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YL-;(E)-2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethanol

Suppliers and Price of Quetiapine Hydroxy Impurity

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

TRC
4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol
500g
$ 340.00

Crysdot
2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethanol 97%
10mg
$ 140.00

Crysdot
2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethanol 97%
25mg
$ 240.00

Biosynth Carbosynth
2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanol
500 mg
$ 165.00

Biosynth Carbosynth
2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanol
250 mg
$ 100.00

Biosynth Carbosynth
2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanol
100 mg
$ 60.00

Biosynth Carbosynth
2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanol
1 g
$ 280.00

Biosynth Carbosynth
2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-piperazin-1-yl)-ethanol
2 g
$ 500.00

Arctom
Quetiapinehydroxyimpurity ≥98%
5mg
$ 368.00

American Custom Chemicals Corporation
QUETIAPINE EP IMPURITY I 95.00%
5MG
$ 451.34

Total 25 raw suppliers

Chemical Property of Quetiapine Hydroxy Impurity

Chemical Property:

Boiling Point:523.4±60.0 °C(Predicted)
PKA:14.96±0.10(Predicted)
PSA：64.37000
Density:1.29±0.1 g/cm3(Predicted)
LogP:2.15080
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:339.14053348
Heavy Atom Count:24
Complexity:450

Purity/Quality:

99%, ^*data from raw suppliers

4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42
Uses 4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazineethanol (Quetiapine EP Impurity I) is an antipsychotic drug.

Technology Process of Quetiapine Hydroxy Impurity

There total 2 articles about Quetiapine Hydroxy Impurity 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: 91.0%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 546-68-9
titanium(IV) isopropylate

: 3159-07-7
dibenzo[b,f][1,4]thiazepin-11-one

: 329216-67-3
O-Dealkyl Quetiapine

: 67-63-0,8013-70-5
isopropyl alcohol

Guidance literature:: at 170 ℃; for 5.5h; Heating / reflux;

Reference yield: 86.0%

: 5747-48-8
11-(1-piperazinyl)dibenzo[b,f][1,4]thiazepine

: 540-51-2
2-bromoethanol

: 329216-67-3
O-Dealkyl Quetiapine

Guidance literature:: With potassium carbonate; sodium iodide; In butan-1-ol; for 24h; Reflux;

Reference yield: 82.0%

: 329216-67-3
O-Dealkyl Quetiapine

: 1235-23-0
2-triphenylmethoxy-1-chloroethane

: 844639-06-1
11-{4-[2-(2-tritiloxiethoxy)ethyl]piperazine-1-yl}dibenzo[b,f][1,4]thiazepine

Guidance literature:: O-Dealkyl Quetiapine; 2-triphenylmethoxy-1-chloroethane; at 100 - 110 ℃;

With potassium hydroxide; at 110 - 115 ℃; for 0.75 - 1h;

18-crown-6 ether; at 110 - 115 ℃; for 2h;