4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one

Base Information

• Chemical Name: 4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
• CAS No.: 6630-73-5
• Molecular Formula: C13H13ClN2O2
• Molecular Weight: 264.711
• European Community (EC) Number: 636-261-8
• NSC Number: 59994
• DSSTox Substance ID: DTXSID20289254
• Nikkaji Number: J308.081A
• Wikidata: Q82026476
• Mol file: 6630-73-5.mol

Synonyms:6630-73-5;4-(chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one;4-(2-chloroacetyl)-1,5-dimethyl-2-phenylpyrazol-3-one;4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one;4-(2-Chloroacetyl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one;4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one;NSC59994;SCHEMBL3874217;DTXSID20289254;NSC-59994;AKOS024332174;4-(2-CHLOROACETYL)-ANTIPYRINE;FT-0724611;4-(2-chloroacetyl)-1,2-dihydro-2,3-dimethyl-1-phenylpyrazol-5-one;4-(2-chloroacetyl)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

Chemical Property of 4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 5.76E-06mmHg at 25°C
• Boiling Point: 379.7°C at 760 mmHg
• Flash Point: 183.4°C
• PSA: 44.00000
• Density: 1.301g/cm³
• LogP: 1.90590
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.0665554
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

4-(2-CHLORO-ACETYL)-1,5-DIMETHYL-2-PHENYL-1,2-DIHYDRO-PYRAZOL-3-ONE 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)C(=O)CCl

Technology Process of 4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one

There total 4 articles about 4-(Chloroacetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one 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:

antipyrine (60-80-0) + chloroacetic acid (79-11-8) → 4-(chloroacetyl)antipyrine (6630-73-5)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/ardp.19552880812

Reference yield:

antipyrine (60-80-0) + chloroacetyl chloride (79-04-9) → 4-(chloroacetyl)antipyrine (6630-73-5)

Guidance literature:

DOI:10.1002/ardp.19552880503

Reference yield:

antipyrine (60-80-0) + Chloroacetic anhydride (541-88-8) → 4-(chloroacetyl)antipyrine (6630-73-5)

Guidance literature:

upstream raw materials:

antipyrine

chloroacetic acid

chloroacetyl chloride

Chloroacetic anhydride

Downstream raw materials:

1,5-dimethyl-4-morpholinoacetyl-2-phenyl-1,2-dihydro-pyrazol-3-one

1,5-Bis-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dihydroxy-3-thiophen-2-yl-pentane-1,5-dione

C₃₄H₃₂N₄O₅

3-(4-Chloro-phenyl)-1,5-bis-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,4-dihydroxy-pentane-1,5-dione