ChemicalBook > CAS DataBase List > 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

Product Name
5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
CAS No.
56426-35-8
Chemical Name
5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
Synonyms
AKOS B024669;ART-CHEM-BB B024669;TIMTEC-BB SBB009683;3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole;Methyl 5-phenyl-1H-pyrazole-3-carboxylate;5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER;1H-Pyrazole-3-carboxylic acid, 5-phenyl-, Methyl ester;3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole, [3-(Methoxycarbonyl)-1H-pyrazol-5-yl]benzene
CBNumber
CB9171989
Molecular Formula
C11H10N2O2
Formula Weight
202.21
MOL File
56426-35-8.mol
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5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER Property

Melting point:
180～182℃
Boiling point:
422.0±33.0 °C(Predicted)
Density 
1.1085 g/cm3(Temp: 19.1 °C)
storage temp. 
2-8°C
pka
10.56±0.10(Predicted)
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKey
ROXAFVODFXYSFO-UHFFFAOYSA-N
SMILES
N1C(C2=CC=CC=C2)=CC(C(OC)=O)=N1
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Safety

Hazard Codes 
Xi
HS Code 
2933199090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC
Product number
M339278
Product name
Methyl5-Phenyl-1H-pyrazole-3-carboxylate
Packaging
250mg
Price
$75
Updated
2021/12/16
SynQuest Laboratories
Product number
4H56-1-P1
Product name
Methyl 5-phenyl-1H-pyrazole-3-carboxylate
Packaging
500mg
Price
$26
Updated
2021/12/16
SynQuest Laboratories
Product number
4H56-1-P1
Product name
Methyl 5-phenyl-1H-pyrazole-3-carboxylate
Packaging
1g
Price
$47
Updated
2021/12/16
Matrix Scientific
Product number
043729
Product name
Methyl 3-phenyl-1H-pyrazole-5-carboxylate
Purity
>95%
Packaging
1g
Price
$54
Updated
2021/12/16
Matrix Scientific
Product number
043729
Product name
Methyl 3-phenyl-1H-pyrazole-5-carboxylate
Purity
>95%
Packaging
5g
Price
$179
Updated
2021/12/16
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5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER Chemical Properties,Usage,Production

Synthesis

20577-73-5

56426-35-8

General procedure for the synthesis of methyl 5-phenylpyrazole-3-carboxylate from methyl 2,4-dioxo-4-phenylbutanoate: methyl 2,4-dioxo-4-phenylbutanoate (470 mg, 2.28 mmol) was dissolved in acetic acid (5 mL), followed by the addition of hydrazine hydrate (122 μL, 2.51 mmol). The reaction mixture was heated at reflux for 2 h at 118 °C. Upon completion of the reaction, the mixture was concentrated under vacuum to afford methyl 5-phenylpyrazole-3-carboxylate (320 mg, 69% yield), the product was a yellow solid.LCMS analysis result: ES+ 203.0 [MH]+.

References

[1] Patent: WO2014/20350, 2014, A1. Location in patent: Page/Page column 51
[2] Patent: WO2014/20351, 2014, A1. Location in patent: Page/Page column 36
[3] Journal of Medicinal Chemistry, 1998, vol. 41, # 13, p. 2390 - 2410
[4] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 1, p. 273 - 280
[5] Patent: US2013/143870, 2013, A1. Location in patent: Paragraph 0547; 0548

5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER Suppliers

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56426-35-8, 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTERRelated Search:

5-Phenyl-1H-pyrazole-3-carboxylic acid RARECHEM AL BF 1033 METHYL 5-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLATE 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER METHYL 1,5-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLATE METHYL 1-[4-(AMINOSULFONYL)PHENYL]-5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE 5-(2-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-(4-CHLORO-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-PHENYL-2H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID METHYL ESTER 5-(3-AMINO-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-(4-FLUORO-PHENYL)-1 H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER 5-(4-METHYLSULFANYL-PHENYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER METHYL 1-(2-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE METHYL 1-(2,4-DICHLOROPHENYL)-5-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE METHYL 5-(4-CHLOROPHENYL)-1-(3,5-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE METHYL 5-(4-CHLOROPHENYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE METHYL 1-(3-CHLOROPHENYL)-5-(4-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

  • TIMTEC-BB SBB009683
  • ART-CHEM-BB B024669
  • AKOS B024669
  • 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
  • Methyl 5-phenyl-1H-pyrazole-3-carboxylate
  • 3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole
  • 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, Methyl ester
  • 3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole, [3-(Methoxycarbonyl)-1H-pyrazol-5-yl]benzene
  • 56426-35-8