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

Base Information

Chemical Name:2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-methyl-
CAS No.:132634-42-5
Molecular Formula:C₂₁H₂₁ClF₃N₃O₃
Molecular Weight:455.864
Hs Code.:
DSSTox Substance ID:DTXSID70927755
Nikkaji Number:J365.786H

Synonyms:132634-42-5;2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-methyl-;C21H21ClF3N3O3;DTXSID70927755;C21-H21-Cl-F3-N3-O3;LS-42372;5-Chloro-3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1-hydroxyethyl]benzoxazol-2(3H)-one;5-Chloro-6-(1-hydroxy-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3-methyl-1,3-benzoxazol-2(3H)-one

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

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)ethyl)-3-methyl-

Chemical Property:

Vapor Pressure:2.29E-14mmHg at 25°C
Boiling Point:581.5°Cat760mmHg
Flash Point:305.5°C
Density:1.413g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:455.1223537
Heavy Atom Count:31
Complexity:647

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O)OC1=O

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

There total 4 articles about 2(3H)-Benzoxazolone, 5-chloro-6-(1-hydroxy-2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-3-methyl- 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: 68.0%

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

: 132634-42-5
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzooxazol-2-one

Guidance literature:: With sodium tetrahydroborate; In methanol; for 4h; reduced pressure;

Reference yield:

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

: 132634-42-5
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-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: 68 percent / NaBH₄ / methanol / 4 h / reduced pressure

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

Reference yield:

: 115967-10-7
3-methyl-5-chloro-6-bromoacetyl-2-benzoxazolinone

: 132634-42-5
5-Chloro-6-{1-hydroxy-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-3-methyl-3H-benzooxazol-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dioxane / 30 h / Ambient temperature

2: 68 percent / NaBH₄ / methanol / 4 h / reduced pressure

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