3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

Base Information

Chemical Name:3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid
CAS No.:1297548-61-8
Molecular Formula:C₂₁H₂₁ClF₃NO₃
Molecular Weight:427.851
Hs Code.:

Synonyms:3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

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Chemical Property of 3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

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Technology Process of 3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

There total 8 articles about 3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid 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: 86.0%

: 1297553-35-5
tert-Butyl 3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoate

: 1297548-61-8
3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 2.5h;
DOI:10.1021/acs.jmedchem.0c02154

Reference yield:

: 1297549-70-2
(+)-ethyl (3R)-4,4,4-trifluoro-3-methylbutanoate

: 1297548-61-8
3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: lithium hexamethyldisilazane / toluene / 0.17 h / -20 - -10 °C / Inert atmosphere

1.2: 4.17 h / 20 - 80 °C / Inert atmosphere

2.1: sodium hydroxide; water / 1,4-dioxane / 3 h / 50 °C

3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; pyridine / N,N-dimethyl-formamide / 20 °C

4.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

With pyridine; water; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; sodium hydroxide; lithium hexamethyldisilazane; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/acs.jmedchem.0c02154

Reference yield:

: 835629-56-6
(3R)-4,4,4-trifluoro-3-methylbutanoic acid

: 1297548-61-8
3-(3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}-2-methylphenyl)propanoic acid

Guidance literature:: Multi-step reaction with 5 steps

1.1: thionyl chloride / 2 h / 80 °C

2.1: lithium hexamethyldisilazane / toluene / 0.17 h / -20 - -10 °C / Inert atmosphere

2.2: 4.17 h / 20 - 80 °C / Inert atmosphere

3.1: sodium hydroxide; water / 1,4-dioxane / 3 h / 50 °C

4.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; pyridine / N,N-dimethyl-formamide / 20 °C

5.1: trifluoroacetic acid / dichloromethane / 2.5 h / 20 °C

With pyridine; thionyl chloride; water; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; sodium hydroxide; lithium hexamethyldisilazane; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide; toluene;
DOI:10.1021/acs.jmedchem.0c02154