Benzamide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-4-yl]methyl]-4-fluoro-

Base Information

• Chemical Name: Benzamide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-4-yl]methyl]-4-fluoro-
• CAS No.: 1141877-98-6
• Molecular Formula: C20H14F4N4O3
• Molecular Weight: 434.34
• Mol file: 1141877-98-6.mol

Synonyms:4-fluoro-N-[[(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]methyl]benzamide;BenzaMide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoroMethyl)-2H-3,1-benzoxazin-4-yl]Methyl]-4-fluoro-

Chemical Property of Benzamide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-4-yl]methyl]-4-fluoro-

Chemical Property:

• PSA: 99.60000
• LogP: 3.80560

Purity/Quality:

N-[[(4S)-1,4-DIHYDRO-2-OXO-6-(1H-PYRAZOL-3-YL)-4-(TRIFLUOROMETHYL)-2H-3,1-BENZOXAZIN-4-YL]METHYL]-4-FLUORO-BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzamide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-4-yl]methyl]-4-fluoro-

There total 2 articles about Benzamide, N-[[(4S)-1,4-dihydro-2-oxo-6-(1H-pyrazol-3-yl)-4-(trifluoromethyl)-2H-3,1-benzoxazin-4-yl]methyl]-4-fluoro- 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:

[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl]boronic acid (1105511-68-9) + N-{[(4S)-6-bromo-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-4-fluorobenzamide (1197420-46-4) → 4-fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide (1141877-98-6)

Guidance literature:

With potassium phosphate trihydrate; In water; N,N-dimethyl-formamide; at 20 - 120 ℃; Microwave irradiation;

DOI:10.1021/jm900915x

Reference yield:

4-fluoro-N-{[2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide (1141877-86-2) → 4-fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide (1141877-98-6)

Guidance literature:

With AD-H column; In hexane; isopropyl alcohol; Resolution of racemate;

DOI:10.1021/jm900915x

upstream raw materials:

[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl]boronic acid

N-{[(4S)-6-bromo-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}-4-fluorobenzamide

4-fluoro-N-{[2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide