(S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE

Base Information

• Chemical Name: (S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE
• CAS No.: 871224-68-9
• Molecular Formula: C16H17NO4S
• Molecular Weight: 319.381
• Hs Code.: 2924299090
• Mol file: 871224-68-9.mol

Synonyms:(S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE

Chemical Property of (S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE

Chemical Property:

• Boiling Point: 547.1±50.0 °C(Predicted)
• PKA: 13.83±0.46(Predicted)
• PSA: 84.34000
• Density: 1.256±0.06 g/cm3(Predicted)
• LogP: 4.10870
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(Methylamino)-2-oxo-1-phenylethyl4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE

There total 2 articles about (S)-2-(METHYLAMINO)-2-OXO-1-PHENYLETHYL 4-METHYLBENZENESULFONATE 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:

(S)-α-hydroxy-N-methyl-2-phenylacetamide (65645-88-7) + p-toluenesulfonyl chloride (98-59-9) → (S)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate (871224-68-9)

Guidance literature:

(S)-α-hydroxy-N-methyl-2-phenylacetamide; p-toluenesulfonyl chloride; With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 2h;

With sodium hydrogencarbonate; In water; ethyl acetate;

Reference yield:

(S)-Methyl mandelate (21210-43-5) → (S)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate (871224-68-9)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 72 h / 20 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / dmap / dichloromethane / 2 h / 20 °C / Inert atmosphere

With N-ethyl-N,N-diisopropylamine; dmap; In methanol; dichloromethane;

Reference yield: 95.0%

(S)-2-(methylamino)-2-oxo-1-phenylethyl 4-methylbenzenesulfonate (871224-68-9) + 1-ethyl-3-methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (955403-67-5) → 2-{1-ethyl-3-methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl}-N-methyl-2-phenyl-acetamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In (methyl)isobutyl ketone; at 90 ℃; for 24h;

upstream raw materials:

(S)-α-hydroxy-N-methyl-2-phenylacetamide

p-toluenesulfonyl chloride

(S)-Methyl mandelate

Downstream raw materials:

(R)-2'-{(R)-4-[2-(3,5-difluoro-4-trifluoromethylphenyl)-ethyl]-1-ethyl-3-methyl-4,6,7,8-tetrahydro-1H-1,2,5-triazaazulen-5-yl}-N-methyl-2'-phenylacetamide

(R)-2'-{(R)-4-[2-(3,4-dimethylphenyl)-ethyl]-1-ethyl-3-methyl-4,6,7,8-tetrahydro-1H-1,2,5-triazaazulen-5-yl}-N-methyl-2'-phenylacetamide

(R)-2'-{1-ethyl-(R)-4-[2-(2-fluoro-4-trifluoromethylphenyl)ethyl]-3-methyl-4,6,7,8-tetrahydro-1H-1,2,5-triazaazulen-5-yl}-N-methyl-2'-phenylacetamide

(R)-2'-{(R)-4-[2-(3,5-difluoro-4-methylphenyl)-ethyl]-1-ethyl-3-methyl-4,6,7,8-tetrahydro-1H-1,2,5-triazaazulen-5-yl}-N-methyl-2'-phenylacetamide