2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate

Base Information

Chemical Name:2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate
CAS No.:844639-07-2
Molecular Formula:C23H27N3O3S
Molecular Weight:425.552
Hs Code.:
UNII:KG5376GG5M
Mol file:844639-07-2.mol

Synonyms:844639-07-2;2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate;Quetiapine acetate;KG5376GG5M;2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl acetate;11-(4-(2-(2-Acetoxyethoxy)ethyl)piperazin-1-yl)dibenzo(b,f)(a,4)thiazepine;2-(2-(4-(Dibenzo(b,f)(1,4)thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl acetate;Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-, 1-acetate;Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-, 1-acetate;PBAGNAROQHNFON-UHFFFAOYSA-N;UNII-KG5376GG5M;SCHEMBL2081816;Quetiapine fumarate impurity A [EP];A900001;QUETIAPINE FUMARATE IMPURITY A [EP IMPURITY];11-(4-[2-(2-acetyloxy-ethoxy)ethyl]-1-piperazinyl]dibenzo[b,f]-1,4-thiazepine;11-(4-[2-(2-acetyloxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f]-1,4-thiazepine;2-(2-(4-(Dibenzo(b,f)(1,4)thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl acetate [EP];Ethanol,2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-,1-acetate;2-(2-(4-(DIBENZO(B,F)(1,4)THIAZEPIN-11-YL)PIPERAZIN-1-YL)ETHOXY)ETHYL ACETATE [EP IMPURITY];2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl AcetateQuetiapine Acetate

Suppliers and Price of 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate

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
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethylAcetateQuetiapineAcetate
250mg
$ 1455.00

TRC
2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethylAcetateQuetiapineAcetate
25mg
$ 185.00

Total 11 raw suppliers

Chemical Property of 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate

Chemical Property:

Boiling Point:569.1±60.0 °C(Predicted)
PKA:6.76±0.10(Predicted)
PSA：79.67000
Density:1.25±0.1 g/cm3(Predicted)
LogP:2.73820
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Methanol (Slightly))
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:425.17731291
Heavy Atom Count:30
Complexity:594

Purity/Quality:

99%, ^*data from raw suppliers

2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethylAcetateQuetiapineAcetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCCOCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C42
Uses 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate (Quetiapine Impurity B; Quetiapine USP-B) is an impurity of Quetiapine Hemifumarate (Q510000), an antipsychotic.

Technology Process of 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate

There total 3 articles about 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl Acetate 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%

: 844639-08-3
11-{4-[2-(2-benzyloxy-ethoxy)ethyl]-piperazin-1-yl}-dibenzo[b,f][1,4]thiazepine

: 64-19-7,77671-22-8
acetic acid

: 844639-07-2
11-[4-[2-(2-(2-acetyloxy)ethoxy)ethyl]-1-piperazinyl]dibenzo [b,f][1,4]thiazepine

Guidance literature:: 11-{4-[2-(2-benzyloxy-ethoxy)ethyl]-piperazin-1-yl}-dibenzo[b,f][1,4]thiazepine; acetic acid; With hydrogen bromide; at 20 - 25 ℃; for 1.5h;

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield:

: [2-(2-acetamino-phenylsulfanyl)-phenyl]-{4-(2-(2-acetoxyethoxy)ethyl)-piperazin-1-yl}methanone

: 844639-07-2
11-[4-[2-(2-(2-acetyloxy)ethoxy)ethyl]-1-piperazinyl]dibenzo [b,f][1,4]thiazepine

Guidance literature:: [2-(2-acetamino-phenylsulfanyl)-phenyl]-{4-(2-(2-acetoxyethoxy)ethyl)-piperazin-1-yl}methanone; With trichlorophosphate; at 20 ℃; for 3.5h; Heating / reflux;

With sodium hydroxide; In water; pH=10 - 11;