C₁₈H₁₈ClN₅O₂

Base Information

• Chemical Name: C₁₈H₁₈ClN₅O₂
• CAS No.: 1350523-63-5
• Molecular Formula: C₁₈H₁₈ClN₅O₂
• Molecular Weight: 371.826
• Mol file: 1350523-63-5.mol

Synonyms:

Chemical Property of C₁₈H₁₈ClN₅O₂

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₈H₁₈ClN₅O₂

There total 10 articles about C₁₈H₁₈ClN₅O₂ 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:

rac-1,3-dimethyl-3-(3-nitrophenyl)piperazine-2,5-dione (1350523-40-8) → C18H18ClN5O2 (1350523-63-5) + C18H18ClN5O2 (1350523-64-6)

Guidance literature:

Multi-step reaction with 5 steps

1: Lawessons reagent; pyridine / toluene / 18 h / 90 °C

2: ammonia; water / methanol / 4 h / 67 °C

3: palladium on activated charcoal; hydrogen / ethanol; ethyl acetate / 12 h / 20 °C

4: N,N-dimethyl-aniline; HATU / dichloromethane / 3 h / 20 °C

5: CHIRALPAK AD-H / Resolution of racemate

With Lawessons reagent; pyridine; palladium on activated charcoal; ammonia; water; hydrogen; N,N-dimethyl-aniline; HATU; In methanol; ethanol; dichloromethane; ethyl acetate; toluene;

DOI:10.1016/j.bmcl.2011.10.050

Reference yield:

rac-2-amino-2-(3-nitro-phenyl)-propionitrile (954272-07-2) → C18H18ClN5O2 (1350523-63-5) + C18H18ClN5O2 (1350523-64-6)

Guidance literature:

Multi-step reaction with 9 steps

1.1: hydrogenchloride; water / 18 h / Reflux

2.1: thionyl chloride / 0.25 h / 0 °C

2.2: 18 h / Reflux

3.1: triethylamine / dichloromethane / 1 h / 0 °C

4.1: ethanol / 3 h / 70 °C

5.1: Lawessons reagent; pyridine / toluene / 18 h / 90 °C

6.1: ammonia; water / methanol / 4 h / 67 °C

7.1: palladium on activated charcoal; hydrogen / ethanol; ethyl acetate / 12 h / 20 °C

8.1: N,N-dimethyl-aniline; HATU / dichloromethane / 3 h / 20 °C

9.1: CHIRALPAK AD-H / Resolution of racemate

With Lawessons reagent; pyridine; hydrogenchloride; thionyl chloride; palladium on activated charcoal; ammonia; water; hydrogen; N,N-dimethyl-aniline; triethylamine; HATU; In methanol; ethanol; dichloromethane; ethyl acetate; toluene;

DOI:10.1016/j.bmcl.2011.10.050

Reference yield:

rac-2-amino-2-(3-nitro-phenyl)-propionic acid methyl ester (1350523-39-5) → C18H18ClN5O2 (1350523-63-5) + C18H18ClN5O2 (1350523-64-6)

Guidance literature:

Multi-step reaction with 7 steps

1: triethylamine / dichloromethane / 1 h / 0 °C

2: ethanol / 3 h / 70 °C

3: Lawessons reagent; pyridine / toluene / 18 h / 90 °C

4: ammonia; water / methanol / 4 h / 67 °C

5: palladium on activated charcoal; hydrogen / ethanol; ethyl acetate / 12 h / 20 °C

6: N,N-dimethyl-aniline; HATU / dichloromethane / 3 h / 20 °C

7: CHIRALPAK AD-H / Resolution of racemate

With Lawessons reagent; pyridine; palladium on activated charcoal; ammonia; water; hydrogen; N,N-dimethyl-aniline; triethylamine; HATU; In methanol; ethanol; dichloromethane; ethyl acetate; toluene;

DOI:10.1016/j.bmcl.2011.10.050

upstream raw materials:

rac-2-amino-2-(3-nitro-phenyl)-propionitrile

rac-2-amino-2-(3-nitro-phenyl)-propionic acid methyl ester

rac-2-amino-2-(3-nitrophenyl)propionic acid

2-(2-chloroacetylamino)-2-(3-nitrophenyl)propionic acid methyl ester