AT-13148

Base Information

• Chemical Name: AT-13148
• CAS No.: 1056901-62-2
• Molecular Formula: C₁₇H₁₆ClN₃O
• Molecular Weight: 313.787
• Hs Code.: 2933199090
• Mol file: 1056901-62-2.mol

Synonyms:(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol;(+)-(S)-2-Amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol;

Chemical Property of AT-13148

Chemical Property:

• Boiling Point: 595.9±50.0 °C(Predicted)
• PKA: 10.92±0.50(Predicted)
• PSA: 74.93000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 5.22900
• Solubility.: Soluble in DMSO

Purity/Quality:

98% ^*data from raw suppliers

AT-13148 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: AT13148 is an oral, ATP-competitive, multi-AGC kinase inhibitor.

Technology Process of AT-13148

There total 2 articles about AT-13148 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:

(RS)-2-(4-chloro-phenyl)-2-(4-iodo-phenyl)-oxirane (857532-00-4) → (R)-2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol (1056901-67-7) + ((1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol) (1056901-62-2)

Guidance literature:

Multi-step reaction with 5 steps

1: ammonia / methanol / 1 h / 130 °C / Microwave irradiation

2: sodium hydroxide / 1,4-dioxane; water / 24 h / 45 °C

3: potassium phosphate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; ethanol; water; toluene / 25.5 h / 85 °C

4: hydrogenchloride / methanol; diethyl ether / 20 h / 20 °C

5: Resolution of racemate

With hydrogenchloride; sodium hydroxide; potassium phosphate; ammonia; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; methanol; diethyl ether; ethanol; water; toluene;

Reference yield:

2-amino-1-(4-chloro-phenyl)-1-(4-iodo-phenyl)-ethanol (917899-14-0) → (R)-2-amino-1-(4-chloro-phenyl)-1-[4-(1H-pyrazol-4-yl)-phenyl]-ethanol (1056901-67-7) + ((1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol) (1056901-62-2)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide / 1,4-dioxane; water / 24 h / 45 °C

2: potassium phosphate / tetrakis(triphenylphosphine) palladium⁽⁰⁾ / methanol; ethanol; water; toluene / 25.5 h / 85 °C

3: hydrogenchloride / methanol; diethyl ether / 20 h / 20 °C

4: Resolution of racemate

With hydrogenchloride; sodium hydroxide; potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; methanol; diethyl ether; ethanol; water; toluene;

upstream raw materials:

(RS)-2-(4-chloro-phenyl)-2-(4-iodo-phenyl)-oxirane

2-amino-1-(4-chloro-phenyl)-1-(4-iodo-phenyl)-ethanol

Refernces