Cas no 85290-76-2 (Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate)

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate structure
85290-76-2 structure
Product Name:Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate
CAS No:85290-76-2
MF:C8H12N2O2
MW:168.193081855774
MDL:MFCD00233458
CID:664709
PubChem ID:10313289
Update Time:2024-10-26

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate
    • 1H-Pyrazole-4-carboxylic acid, 1,3-dimethyl-, ethyl ester
    • 1,3-Dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • Ethyl 1,3-dimethyl-4-pyrazolecarboxylate
    • Ethyl1,3-dimethyl-1H-pyrazole-4-carboxylate
    • CS-0137704
    • DTXSID70437980
    • ALBB-027472
    • Ethyl 1,3-dimethylpyrazole-4-carboxylate
    • MD-0706
    • SCHEMBL3267578
    • STK652665
    • J-520506
    • UEOAHNKIDQAFPD-UHFFFAOYSA-N
    • AKOS005073586
    • DB-076317
    • MFCD00233458
    • F17944
    • 85290-76-2
    • AB05030
    • MDL: MFCD00233458
    • Inchi: 1S/C8H12N2O2/c1-4-12-8(11)7-5-10(3)9-6(7)2/h5H,4H2,1-3H3
    • InChI Key: UEOAHNKIDQAFPD-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=NN(C)C=1)OCC

Computed Properties

  • Exact Mass: 168.089877630g/mol
  • Monoisotopic Mass: 168.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 172
  • 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
  • XLogP3: 0.9
  • Topological Polar Surface Area: 44.1?2

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Security Information

  • HazardClass:IRRITANT

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Pricemore >>

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Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol
Reference
Reaction of 2-dimethylaminomethylene-1,3-diones with dinucleophiles. VI. Synthesis of ethyl or methyl 1,5-disubstituted 1H-pyrazole-4-carboxylates
Menozzi, Giulia; Mosti, Luisa; Schenone, Pietro, Journal of Heterocyclic Chemistry, 1987, 24(6), 1669-75

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  8 h, rt
Reference
Comprehensive evaluation of chiral penflufen metabolite (penflufen-3-hydroxy-butyl): Identification, synthesis, enantioseparation, toxicity and enantioselective metabolism
Di, Shanshan; Liu, Ruiquan; Liu, Zhenzhen; Xu, Hao; Zhao, Huiyu; et al, Ecotoxicology and Environmental Safety, 2023, 251,

Production Method 3

Reaction Conditions
1.1 Solvents: 2,2,2-Trifluoroethanol ;  0 °C; 10 min, rt
Reference
Catalyst-free one-pot synthesis of 1,4,5-trisubstituted pyrazoles in 2,2,2-trifluoroethanol
Alinezhad, Heshmatollah; Tajbakhsh, Mahmood; Zare, Mahboobeh, Journal of Fluorine Chemistry, 2011, 132(11), 995-1000

Production Method 4

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  1 - 10 h, -20 °C
Reference
Toward Continuous-Flow Synthesis of Biologically Interesting Pyrazole Derivatives
Das, Amrita; Ishitani, Haruro; Kobayashi, Shu, Advanced Synthesis & Catalysis, 2019, 361(22), 5127-5132

Production Method 5

Reaction Conditions
Reference
Systemic fungicides. The synthesis of certain pyrazole analogs of carboxin
Huppatz, John L., Australian Journal of Chemistry, 1983, 36(1), 135-47

Production Method 6

Reaction Conditions
1.1 Solvents: Ethanol ;  rt; 1 h, 5 °C; 3 h, reflux
Reference
Synthesis and Nematocidal Activity of N-Substituted 3-Methyl-1H-pyrazole-4-carboxamide Derivatives Against Meloidogyne incognita
Cheng, Long; Shen, Zhong-Hua; Xu, Tian-Ming; Tan, Cheng-Xia; Weng, Jian-Quan; et al, Journal of Heterocyclic Chemistry, 2018, 55(4), 946-950

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Raw materials

Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate Preparation Products

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