2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R,S)-

Base Information

Chemical Name:2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)-
CAS No.:132634-44-7
Molecular Formula:C₂₂H₂₃ClF₃N₃O₃
Molecular Weight:469.891
Hs Code.:
DSSTox Substance ID:DTXSID90157678
Wikidata:Q83025831

Synonyms:132634-44-7;2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)-;C22-H23-Cl-F3-N3-O3;DTXSID90157678;LS-42374

Suppliers and Price of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)-

Supply Marketing:

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

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Chemical Property of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)-

Chemical Property:

Vapor Pressure:1.64E-14mmHg at 25°C
Boiling Point:584.6°Cat760mmHg
Flash Point:307.4°C
Density:1.394g/cm³
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:469.1380038
Heavy Atom Count:32
Complexity:677

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(C1=CC2=C(C=C1Cl)N(C(=O)O2)C)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Isomeric SMILES:C[C@@H]([C@@H](C1=CC2=C(C=C1Cl)N(C(=O)O2)C)O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Technology Process of 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)-

There total 8 articles about 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propyl)-3-methyl-, (R*,S*)- 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: 75.0%

: 5-Chloro-3-methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propionyl}-3H-benzooxazol-2-one

: 132634-43-6,132634-44-7
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzooxazol-2-one

: 132634-43-6,132634-44-7
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzooxazol-2-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 12h; under 2587.7 Torr; Yields of byproduct given;

Reference yield: 75.0%

: 5-Chloro-3-methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propionyl}-3H-benzooxazol-2-one

: 132634-43-6,132634-44-7
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzooxazol-2-one

: 132634-43-6,132634-44-7
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzooxazol-2-one

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 12h; under 2587.7 Torr; Yields of byproduct given;

Reference yield:

: 5790-90-9
5-chloro-3-methyl-1,3-benzoxazol-2(3H)-one

: 132634-43-6,132634-44-7
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-3-methyl-3H-benzooxazol-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: polyphosphoric acid / 110 °C

2: triethylamine / dioxane / 30 h / Ambient temperature

3: NaBH₄ / methanol / 4 h / reduced pressure

With sodium tetrahydroborate; PPA; triethylamine; In 1,4-dioxane; methanol;