benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

Base Information

• Chemical Name: benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
• CAS No.: 913376-49-5
• Molecular Formula: C18H16N2O3
• Molecular Weight: 308.337
• Hs Code.: 2933199090
• Mol file: 913376-49-5.mol

Synonyms:Benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate;benzyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carboxylate;

Chemical Property of benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

Chemical Property:

• Boiling Point: 447.6±55.0 °C(Predicted)
• PKA: -1.67±0.60(Predicted)
• PSA: 64.09000
• Density: 1.263±0.06 g/cm3(Predicted)
• LogP: 2.83100

Purity/Quality:

97% ^*data from raw suppliers

Benzyl5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

There total 2 articles about benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate 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: 79.0%

benzyl chloroformate (501-53-1,94274-21-2) → benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (913376-49-5)

Guidance literature:

3-methyl-1-phenylpyrazolin-5(4H)-one; With calcium hydroxide; In 1,4-dioxane; at 50 ℃; for 0.333333h;

benzyl chloroformate; In 1,4-dioxane; at 10 - 90 ℃; for 3h;

Reference yield: 79.0%

3-methyl-1-phenylpyrazolin-5(4H)-one (19735-89-8) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (913376-49-5)

Guidance literature:

3-methyl-1-phenylpyrazolin-5(4H)-one; With calcium hydroxide; In 1,4-dioxane; at 50 ℃; for 0.333333h;

benzyl chloroformate; In 1,4-dioxane; at 10 - 90 ℃; for 3h;

Reference yield: 96.0%

benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (913376-49-5) + methyloxirane (75-56-9,16033-71-9) → (R)-benzyl 1-(2-hydroxypropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate (1034355-84-4)

Guidance literature:

With magnesium(II) perchlorate; In acetonitrile; at 35 ℃; for 3h; regioselective reaction;

DOI:10.1055/s-2008-1042923

upstream raw materials:

benzyl chloroformate

3-methyl-1-phenylpyrazolin-5(4H)-one

Downstream raw materials:

(S)-benzyl 1-(2-hydroxypropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

benzyl 1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

benzyl 1-(2-hydroxyethyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate

C₂₃H₂₆N₂O₄

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