Cas no 83405-70-3 (Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate)

Ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate is a pyrazole-based ester compound with a tert-butyl substituent at the 5-position, enhancing its steric and electronic properties. This structure lends itself to applications in pharmaceutical and agrochemical synthesis, where it serves as a versatile intermediate. The tert-butyl group improves stability and influences reactivity, making it valuable for selective functionalization. Its ester moiety allows further derivatization, enabling the synthesis of amides, acids, or other derivatives. The compound is typically characterized by high purity and consistent performance in heterocyclic chemistry, contributing to its utility in research and industrial processes. Proper handling and storage are recommended to maintain its integrity.
Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate structure
83405-70-3 structure
Product Name:Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate
CAS No:83405-70-3
MF:C10H16N2O2
MW:196.246242523193
MDL:MFCD00173782
CID:60560
PubChem ID:2743509
Update Time:2025-05-28

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate
    • 5-(tert-Butyl)-2H-pyrazole-3-carboxylic acid ethyl ester
    • 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLESTER
    • Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
    • 3-t-butyl-5-ethoxycarbonyl-1H-pyrazole
    • 5-tert-Butyl-2H-pyrazole-3-carboxylic acid ethyl
    • BUTTPARK 366-08
    • ethyl 3-(tert-butyl)-1H-pyrazole-5-carboxylate
    • ethyl 3-t-butyl-1H-pyrazole-5-carboxylate
    • ETHYL 3-T-BUTYL-5-PYRAZOLECARBOXYLATE
    • ethyl 3-t-butyl-pyrazol-5-carboxylate
    • ETHYL 3-TERT-BUTYLPYRAZOLE-5-CARBOXYLATE
    • ETHYL 5-TERT-BUTYL-2H-PYRAZOLE-3-CARBOXYLATE
    • Ethyl 5-tert-butylpyrazole-3-carboxylate
    • 5-tert-Butyl-1H-pyrazole-3-carboxylic acid ethyl ester
    • 5-tert-Butyl-pyrazol-3-carboxylic acid ethyl ester
    • Ethyl 3-tert-butyl-2H-pyrazole-5-carboxylate
    • Ethyl 5-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate
    • Ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate
    • 1H-Pyrazole-3-carboxylic acid, 5-(1,1-dimethylethyl)-, ethyl ester
    • ethyl 3-t-butyl-1 H-pyrazole-5-carboxylate
    • A5497
    • SY061947
    • SCHEMBL574316
    • 916791-97-4
    • FT-0641901
    • IDI1_018109
    • CS-D0076
    • AKOS000269103
    • J-521157
    • AC-26262
    • ETHYL3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLATE
    • Maybridge3_006722
    • 294852-57-6
    • EN300-110824
    • A840569
    • ethyl 3-(2-methyl-2-propanyl)-1h-pyrazole-5-carboxylate
    • AS-5168
    • DTXSID10952001
    • 83405-70-3
    • RCXMILPYEKVQLB-UHFFFAOYSA-N
    • 5-tert-Butyl-1H-pyrazol-3-carboxylic acid ethyl ester
    • 5-tert-Butyl-2H-pyrazole-3-carboxylic acid ethyl ester
    • MFCD00173782
    • ethyl 3-(tert-butyl)pyrazole-5-carboxylate
    • FT-0729709
    • A853684
    • HMS1450B12
    • Ethyl 5-(tert-butyl)-1H-pyrazole-3-carboxylate
    • BB 0254479
    • AKOS005111418
    • ethyl 3-tert-butyl-1 H-pyrazole-5-carboxylate
    • FT-0741181
    • CS-0368448
    • STK506263
    • 1H-pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester
    • BBL022481
    • ALBB-010168
    • DA-34052
    • DB-068123
    • DB-056712
    • Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate
    • MDL： MFCD00173782
    • Inchi： 1S/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
    • InChI Key： RCXMILPYEKVQLB-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(C(C)(C)C)NN=1)OCC

Computed Properties

  • Exact Mass: 196.12100
  • Monoisotopic Mass: 196.121
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 211
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 2.5
  • Topological Polar Surface Area: 55A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.91
  • Melting Point: 141-144°C
  • Boiling Point: 322.3±30.0 °C at 760 mmHg
  • Flash Point: 148.7±24.6 °C
  • Refractive Index: 1.5
  • PSA: 54.98000
  • LogP: 1.88390
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Security Information

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Pricemore >>

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Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium ethoxide Solvents: Ethanol ;  rt; 20 h, rt
1.2 Reagents: Acetic acid ,  Hydrazine hydrate (1:1) Solvents: Water ;  20 h, rt
Reference
Synthesis of 3-aminomethyl-substituted pyrazoles and isoxazoles
Musatov, D. M.; et al, Russian Journal of Organic Chemistry, 2011, 47(8), 1199-1203

Production Method 2

Reaction Conditions
1.1 45 min, 140 °C
Reference
Microwave-assisted synthesis of pyrazoles by 1,3-dipolar cycloaddition of diazo compounds to acetylene derivatives
Zrinski, Irena; et al, Heterocycles, 2006, 68(9), 1961-1967

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Solvents: Ethanol ;  3 h, reflux
Reference
Synthesis and biological evaluation of a series of 2-(((5-akly/aryl-1H-pyrazol-3-yl)methyl)thio)-5-alkyl-6-(cyclohexylmethyl)-pyrimidin-4(3H)-ones as potential HIV-1 inhibitors
Wu, Yumeng; et al, Acta Pharmaceutica Sinica B, 2020, 10(3), 512-528

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Raw materials

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Preparation Products

Ethyl 5-tert-butyl-1h-pyrazole-3-carboxylate Related Literature

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