Product Name

  • Name

    Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate

  • EINECS 201-899-4
  • CAS No. 89-33-8
  • Article Data3
  • CAS DataBase
  • Density 1.25 g/cm3
  • Solubility
  • Melting Point 181.5-182.5 °C
  • Formula C12H12N2O3
  • Boiling Point 335.3 °C at 760 mmHg
  • Molecular Weight 232.239
  • Flash Point 156.6 °C
  • Transport Information
  • Appearance yellow to brown crystalline powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 89-33-8 (Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate)
  • Hazard Symbols
  • Synonyms NSC 57876;NSC 49150;Ethyl-1-phenyl-5-pyrazolone-3-carboxylate;Ethyl 4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate;Ethyl 1-phenyl-2-pyrazolin-5-one-3-carboxylate;3-Carbethoxy-1-phenyl-5-pyrazolone;3-(Ethoxycarbonyl)-1-phenyl-5-pyrazolone;1-Phenyl-3-ethoxycarbonyle-5-pyrazolone;2-Pyrazoline-3-carboxylicacid, 5-oxo-1-phenyl-, ethyl ester (6CI,7CI,8CI);1-Phenyl-3-carbethoxy-5-pyrazolone;
  • PSA 58.97000
  • LogP 0.84300

Synthetic route

C6H6N2*(x)ClH

C6H6N2*(x)ClH

acetylenedicarboxylic acid diethyl ester
762-21-0

acetylenedicarboxylic acid diethyl ester

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

Conditions
ConditionsYield
Stage #1: C6H6N2*(x)ClH With sodium acetate In ethanol; water at 20℃; for 0.0833333h;
Stage #2: acetylenedicarboxylic acid diethyl ester In ethanol; water for 3h; Reflux;
C16H9BrFNOS

C16H9BrFNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-bromo-6-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-bromo-6-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H9BrFNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		96%
...Expand
C16H10N2O3S

C16H10N2O3S

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-nitrophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-nitrophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10N2O3S; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		96%
...Expand
C16H10ClNOS

C16H10ClNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-chlorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-chlorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10ClNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		95%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		94%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		94%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		94%
...Expand
C16H10N2O3S

C16H10N2O3S

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-nitrophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-nitrophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10N2O3S; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		93%
...Expand
C17H13NOS

C17H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(m-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(m-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C17H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		92%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		91%
...Expand
C16H10BrNOS

C16H10BrNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-bromophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-bromophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10BrNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		91%
...Expand
5-benzylidene thiazolone
92795-17-0

5-benzylidene thiazolone

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: 5-benzylidene thiazolone; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Reagent/catalyst; Solvent; Michael Addition; enantioselective reaction;		91%
...Expand
C16H10ClNOS

C16H10ClNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-chlorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(3-chlorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10ClNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		90%
...Expand
C16H9BrFNOS

C16H9BrFNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-bromo-6-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2-bromo-6-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H9BrFNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		90%
...Expand
5-benzylidene thiazolone
92795-17-0

5-benzylidene thiazolone

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: 5-benzylidene thiazolone; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		89%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		88%
...Expand
C17H13NOS

C17H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(p-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(p-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C17H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		87%
...Expand
C16H10BrNOS

C16H10BrNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-bromophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-bromophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10BrNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		86%
...Expand
C18H15NOS

C18H15NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2,4-dimethylphenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2,4-dimethylphenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C18H15NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		85%
...Expand
5-benzylidene thiazolone
92795-17-0

5-benzylidene thiazolone

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(phenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: 5-benzylidene thiazolone; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With 3-(3,5-bis(trifluoromethyl)anilino)-4-([(1R,2R)-2-(piperidin-1-yl)cyclohexyl]amino)cyclobut-3-ene-1,2-dione In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		85%
...Expand
C16H10FNOS

C16H10FNOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(4-fluorophenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C16H10FNOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		83%
...Expand
C17H13NOS

C17H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(m-tolyl)methyl)-1-phenyl-1H- pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(m-tolyl)methyl)-1-phenyl-1H- pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C17H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		83%
...Expand
C22H15NOS

C22H15NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 4-([1,1'-biphenyl]-4-yl(4-acetoxy-2-phenylthiazol-5-yl)methyl)-5-acetoxy-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 4-([1,1'-biphenyl]-4-yl(4-acetoxy-2-phenylthiazol-5-yl)methyl)-5-acetoxy-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C22H15NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		81%
...Expand
C17H13NOS

C17H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(o-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(o-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C17H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		80%
...Expand
C22H15NOS

C22H15NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 4-([1,1'-biphenyl]-4-yl(4-acetoxy-2-phenylthiazol-5-yl)methyl)-5-acetoxy-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 4-([1,1'-biphenyl]-4-yl(4-acetoxy-2-phenylthiazol-5-yl)methyl)-5-acetoxy-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C22H15NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		79%
...Expand
C17H13NOS

C17H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(o-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(o-tolyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C17H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		79%
...Expand
N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate
38405-71-9

ethyl 5-chloro-4-formyl-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
With trichlorophosphate at 10 - 70℃; Vilsmeier-Haack reaction;78%
C18H15NOS

C18H15NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2,4-dimethylphenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(2,4-dimethylphenyl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C18H15NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		78%
...Expand
C20H13NOS

C20H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(naphthalen-2-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(naphthalen-2-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C20H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With quinine In dichloromethane at 30℃; for 24h; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; for 0.5h; Michael Addition; enantioselective reaction;		75%
...Expand
C20H13NOS

C20H13NOS

acetyl chloride
75-36-5

acetyl chloride

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(naphthalen-2-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

ethyl 5-acetoxy-4-((4-acetoxy-2-phenylthiazol-5-yl)(naphthalen-2-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate

Conditions
ConditionsYield
Stage #1: C20H13NOS; 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one With potassium carbonate In dichloromethane at 20℃; Michael Addition;
Stage #2: acetyl chloride In dichloromethane at 0℃; Michael Addition;		71%
...Expand
2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one
89-33-8

2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one

[1-chloro-2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethyl]-p-tolyl-carbodiimide

[1-chloro-2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethyl]-p-tolyl-carbodiimide

4-(4-methoxy-phenyl)-1-phenyl-6-p-tolylimino-4-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[4,3-e][1,3]oxazine-3-carboxylic acid ethyl ester

4-(4-methoxy-phenyl)-1-phenyl-6-p-tolylimino-4-trifluoromethyl-1,4,5,6-tetrahydro-pyrazolo[4,3-e][1,3]oxazine-3-carboxylic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 2,4-dihydro-2-phenyl-5-ethoxycarbonyl-3H-pyrazol-3-one; [1-chloro-2,2,2-trifluoro-1-(4-methoxy-phenyl)-ethyl]-p-tolyl-carbodiimide With triethylamine In benzene at 20℃; for 2h;
Stage #2: In benzene for 2h; Heating;		53%

Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate Specification

This chemical is called Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate, and it can also be named as 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester. With the molecular formula of C12H12N2O3, its molecular weight is 232.24. The CAS registry number of this chemical is 89-33-8. Additionally, its product category is Intermediates of Dyes and Pigments.

Other characteristics of the Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.6; (6)ACD/BCF (pH 7.4): 3.6; (7)ACD/KOC (pH 5.5): 87.08; (8)ACD/KOC (pH 7.4): 87.08; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 62.66 cm3; (15)Molar Volume: 184.4 cm3; (16)Polarizability: 24.84×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 156.6 °C; (20)Enthalpy of Vaporization: 57.84 kJ/mol; (21)Boiling Point: 335.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00012 mmHg at 25°C.

Uses of this chemical: The Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate is used as coupling components for CI Pigment Red 38,39,42. It could react with 4-Aminomethylen-5-oxo-1-phenyl-2-pyrazolin-3-carbonsaeureethylester, and obtain the 4-[(3-Ethoxycarbonyl-5-hydroxy-1-phenyl-4-pyrazolyl)methylen]-5-oxo-1-phenyl-2-pyrazolin-3-carbonsaeureethylester. In addition, this reaction should be taken for 30 minutes at the temperature of 180 °C. The yield is 46 %.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)/C2=N/N(c1ccccc1)C(=O)C2
2.InChI: InChI=1/C12H12N2O3/c1-2-17-12(16)10-8-11(15)14(13-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
3.InChIKey: WBFXQKNQVZMOSQ-UHFFFAOYAP

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