(2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat

Base Information

• Chemical Name: (2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat
• CAS No.: 1033805-28-5
• Molecular Formula: C₂₅H₂₂ClF₃N₆O₃
• Molecular Weight: 546.936
• Mol file: 1033805-28-5.mol

Synonyms:(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)-phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid

Chemical Property of (2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat

Chemical Property:

• Boiling Point: 731.1±70.0 °C(Predicted)
• PKA: 2.04±0.10(Predicted)
• Density: 1.50±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: ≥27.35 mg/mL in DMSO with ultrasonic; insoluble in H2O; insoluble in EtOH

Purity/Quality:

99%, ^*data from raw suppliers

Telotristat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Telotristat acts as a tryptophan hydroxylase (TPH) inhibitor.

Technology Process of (2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat

There total 3 articles about (2S)-2-aMino-3-[4-[2-aMino-6-[(1R)-1-[4-chloro-2-(3-Methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyriMidin-4-yl]phenyl]propanoic acid, Telotristat 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: 95.0%

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid (1033804-86-2) + (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol (1033805-26-3) → (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)-phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid (1033805-28-5)

Guidance literature:

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid; (R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol; With caesium carbonate; In 1,4-dioxane; at 100 ℃;

With hydrogenchloride; In tetrahydrofuran; water; at 35 - 40 ℃; for 12h;

With phosphoric acid; sodium hydroxide; In water; at 58 ℃; pH=6.1-6.3;

Reference yield: 95.0%

(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid (1033805-27-4) → (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)-phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid (1033805-28-5)

Guidance literature:

(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid; With hydrogenchloride; water; In tetrahydrofuran; at 35 - 40 ℃; for 12h;

With sodium hydroxide; phosphoric acid; water; at 58 ℃; pH=6.1 - 6.3; Product distribution / selectivity;

Reference yield: 92.0%

(2S)-2-amino-3-[4-[2-amino-6-[[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl]oxy]pyrimidin-4-yl]phenyl]propionic acid ethyl ester (1033805-22-9) → (S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)-phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid (1033805-28-5)

Guidance literature:

(2S)-2-amino-3-[4-[2-amino-6-[[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl]oxy]pyrimidin-4-yl]phenyl]propionic acid ethyl ester; With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 12h;

With hydrogenchloride; sodium hydroxide; phosphoric acid; water; at 58 ℃; pH=6.1 - 6.2; Product distribution / selectivity;

upstream raw materials:

(2S)-2-amino-3-[4-[2-amino-6-[[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl]oxy]pyrimidin-4-yl]phenyl]propionic acid ethyl ester

(S)-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-(tert-butoxycarbonylamino)propanoic acid

(S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanoic acid

(R)-1-(4-chloro-2-(3-methyl-1H-pyrazole-1-yl)phenyl)-2,2,2-trifluoroethane-1-ol

Downstream raw materials:

(2S)-2-amino-3-[4-[2-amino-6-[[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethyl]oxy]pyrimidin-4-yl]phenyl]propionic acid ethyl ester

(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid dibesylate

(S)-2-amino-3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoic acid besylate

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