2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide

Base Information

• Chemical Name: 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
• CAS No.: 101937-73-9
• Molecular Formula: C14H16 Cl N3 O2
• Molecular Weight: 293.753
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID20404521
• Mol file: 101937-73-9.mol

Synonyms:101937-73-9;2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide;2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide;propanamide, 2-chloro-N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-;2-CHLORO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-PROPIONAMIDE;DTXSID20404521;MFCD03147406;AKOS002813414;AKOS016050271;EN300-01802;Z56867218

Chemical Property of 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide

Chemical Property:

• PSA: 56.03000
• LogP: 2.12320
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 293.0931045
• Heavy Atom Count: 20
• Complexity: 444

Purity/Quality:

99%min ^*data from raw suppliers

2-CHLORO-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-PROPIONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)Cl

Technology Process of 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide

There total 2 articles about 2-Chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide 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:

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) + (R,S)-2-chloropropionic acid (598-78-7) → 4-(α-chloropropionyl)amino-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole (101937-73-9)

Guidance literature:

With phosphorus pentoxide;

Reference yield:

2-chloropropionyl chloride (7623-09-8) + 4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one (83-07-8) → 4-(α-chloropropionyl)amino-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole (101937-73-9)

Guidance literature:

With chloroform; potassium carbonate;

Reference yield: 87.0%

4-(α-chloropropionyl)amino-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole (101937-73-9) + 5-(2-furyl)-4-(4-chlorophenyl)-2,4-dihydro-1,2,4-triazole-3-thione → 4-[[2-[[5-(2-furanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]propionyl]amino]-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole

Guidance literature:

With potassium carbonate; In acetone; for 21h; Heating;

DOI:10.1007/s00706-002-0546-z

upstream raw materials:

4-amino-2,3-dimethyl-1-phenylpyrazolin-5-one

(R,S)-2-chloropropionic acid

2-chloropropionyl chloride

Downstream raw materials:

aminopropylon