2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-

Base Information

Chemical Name:2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-
CAS No.:280750-31-4
Molecular Formula:C₂₃H₂₃ClN₂O₄S
Molecular Weight:458.966
Hs Code.:
UNII:NUG7541QVZ
DSSTox Substance ID:DTXSID501320668
Nikkaji Number:J1.538.413A,J1.668.414G
Wikidata:Q27285063
Pharos Ligand ID:YZJ5SJAF1LXH
ChEMBL ID:CHEMBL275402

Synonyms:NUG7541QVZ;UNII-NUG7541QVZ;A-292949;CHEMBL275402;280750-31-4;2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-;2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-, (2E)-;Piperazine, 1-acetyl-4-((2E)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-1-oxo-2-propenyl)-;SCHEMBL6199889;DTXSID501320668;BDBM50098770;Q27285063;(E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-propenone;(E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-en-1-one;(E)-3-[3-Chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)phenyl]-1-(4-acetylpiperazine-1-yl)-2-propene-1-one;1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsulfanyl)-phenyl]-propenone;3-[3-Chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)phenyl]-1-(4-acetylpiperazino)-2-propene-1-one

Suppliers and Price of 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-

Supply Marketing:

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

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Chemical Property of 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:458.1067061
Heavy Atom Count:31
Complexity:670

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)Cl
Isomeric SMILES:CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)Cl

Technology Process of 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)-

There total 14 articles about 2-Propen-1-one, 1-(4-acetyl-1-piperazinyl)-3-(3-chloro-4-((2,3-dihydro-1,4-benzodioxin-6-yl)thio)phenyl)- 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:

: 52287-51-1
6-bromo-1,4-benzodioxane

: potassium 4-[3-(4-acetyl-piperazin-1-yl)-3-oxo-propenyl]-2-chloro-benzenethiolate

: 280750-31-4
(benzodioxan-6-yl)[2-chloro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium t-butanolate; In dimethyl sulfoxide; at 110 ℃; for 2h;
DOI:10.1021/jm000503f

Reference yield:

: 34328-61-5
3-Chloro-4-fluorobenzaldehyde

: 280750-31-4
(benzodioxan-6-yl)[2-chloro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide

Guidance literature:: Multi-step reaction with 4 steps

1: K₂CO₃ / 1-methyl-pyrrolidin-2-one / 1.25 h / 25 - 55 °C

2: piperidine / 1.5 h / 120 °C

3: oxalyl chloride / benzene / 0.75 h / Heating

4: toluene / 0.75 h / 25 °C

With piperidine; oxalyl dichloride; potassium carbonate; In 1-methyl-pyrrolidin-2-one; toluene; benzene;
DOI:10.1021/jm0103108

Reference yield:

: 247228-28-0
2,3-dihydrobenzo[b][1,4]dioxine-6-thiol

: 280750-31-4
(benzodioxan-6-yl)[2-chloro-4-(E-((4-acetylpiperazin-1-yl)carbonyl)ethenyl)phenyl]sulfide

Guidance literature:: Multi-step reaction with 4 steps

1: K₂CO₃ / 1-methyl-pyrrolidin-2-one / 1.25 h / 25 - 55 °C

2: piperidine / 1.5 h / 120 °C

3: oxalyl chloride / benzene / 0.75 h / Heating

4: toluene / 0.75 h / 25 °C

With piperidine; oxalyl dichloride; potassium carbonate; In 1-methyl-pyrrolidin-2-one; toluene; benzene;
DOI:10.1021/jm0103108