Cas no 93290-12-1 (Ethyl 5-formyl-1H-pyrazole-3-carboxylate)

Ethyl 5-formyl-1H-pyrazole-3-carboxylate structure
93290-12-1 structure
Product Name:Ethyl 5-formyl-1H-pyrazole-3-carboxylate
CAS No:93290-12-1
MF:C7H8N2O3
MW:168.15002155304
MDL:MFCD16620106
CID:844592
PubChem ID:3542775
Update Time:2024-10-26

Ethyl 5-formyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 5-formyl-1H-Pyrazole-3-carboxylic acid ethyl ester
    • Ethyl 5-Formylpyrazole-3-carboxylate
    • 1H-Pyrazole-3-carboxylic acid, 5-formyl-, ethyl ester
    • ethyl 3(5)-formylpyrazole-5(3)-carboxylate
    • ethyl 5-formyl-1H-pyrazole-3-carboxylate
    • Ethyl 3-formyl-1H-pyrazole-5-carboxylate
    • DURUTRWXAPRQHM-UHFFFAOYSA-N
    • Ethyl5-Formylpyrazole-3-carboxylate
    • 5789AC
    • KM3179
    • NE61573
    • TRA0036683
    • AB16859
    • SY018583
    • TC
    • 5-Formylpyrazole-3-carboxylic acid ethyl ester
    • SCHEMBL14097075
    • EN300-55217
    • Ethyl3-formyl-1H-pyrazole-5-carboxylate
    • AKOS006238803
    • DB-169069
    • SCHEMBL5599267
    • CS-0055100
    • J-520877
    • 5-Formyl-2H-pyrazole-3-carboxylic acid ethyl ester
    • AS-32669
    • DTXSID60393480
    • Z825863534
    • 93290-12-1
    • AKOS016013842
    • DA-18223
    • MFCD16620106
    • Ethyl 5-formyl-1H-pyrazole-3-carboxylate
    • MDL: MFCD16620106
    • Inchi: 1S/C7H8N2O3/c1-2-12-7(11)6-3-5(4-10)8-9-6/h3-4H,2H2,1H3,(H,8,9)
    • InChI Key: DURUTRWXAPRQHM-UHFFFAOYSA-N
    • SMILES: O=CC1NN=C(C(OCC)=O)C=1

Computed Properties

  • Exact Mass: 168.05300
  • Monoisotopic Mass: 168.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 184
  • 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
  • Topological Polar Surface Area: 72
  • XLogP3: 0.6

Experimental Properties

  • Boiling Point: 373.6±27.0℃/760mmHg
  • PSA: 72.05000
  • LogP: 0.39890

Ethyl 5-formyl-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%

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Ethyl 5-formyl-1H-pyrazole-3-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  0 °C; 30 min, rt
1.2 Solvents: 1,2-Dichloroethane ;  rt → 0 °C; 0 °C; 0 °C → reflux; 30 min, reflux
1.3 Reagents: Water ;  cooled
Reference
Preparation of compounds with TRK inhibitory activity
, China, , ,

Production Method 2

Reaction Conditions
Reference
Preparation of isoquinoline derivatives as c-Jun N-terminal kinase (JNK) inhibitors
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 30 min, rt
1.2 1 h, rt
1.3 Reagents: Methanol ;  10 min, rt
Reference
Stabilization and activation of unstable propynal in the zeolite nanospace and its application to addition reactions
Hayashi, Daijiro; Igura, Yuta; Masui, Yoichi; Onaka, Makoto, Catalysis Science & Technology, 2017, 7(19), 4422-4430

Production Method 4

Reaction Conditions
1.1 Solvents: Dichloromethane ;  12 h, rt
Reference
1,3-Dipolar cycloaddition of ethyl diazoacetate to alkynes in the pores of zeolite NaY
Kobayashi, Keijiro; Igura, Yuta; Imachi, Shouhei; Masui, Yoichi; Onaka, Makoto, Chemistry Letters, 2007, 36(1), 60-61

Production Method 5

Reaction Conditions
1.1 Solvents: Diethyl ether ;  30 min, reflux
1.2 Reagents: Formic acid ;  1 h, rt
Reference
1,3-Dipolar cycloaddition in the synthesis of pyrazolyl-substituted nitronyl nitroxides
Tretyakov, E. V.; Tolstikov, S. E.; Romanenko, G. V.; Shvedenkov, Yu. G.; Sagdeev, R. Z.; et al, Russian Chemical Bulletin, 2005, 54(9), 2169-2181

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ;  6 h, 65 °C
Reference
Brominated trihalomethyl enones as versatile precursors to 3-ethoxy, -formyl, -azidomethyl, -triazolyl, and 3-aminomethyl pyrazoles
Martins, Marcos A. P.; Sinhorin, Adilson P.; Frizzo, Clarissa P.; Buriol, Lilian; Scapin, Elisandra; et al, Journal of Heterocyclic Chemistry, 2013, 50(1), 71-77

Production Method 7

Reaction Conditions
1.1 Solvents: Diethyl ether
Reference
Some aldehydes of the pyrazole and 1,2,3-triazole series
Huttel, Rudolf, Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen, 1941, 74, 1680-7

Production Method 8

Reaction Conditions
Reference
Preparation of 5-substituted 2H-pyrazole-3-carboxylic acid derivatives as agonists for the RUP25 nicotinic acid receptor for the treatment of dyslipidemia and related diseases
, World Intellectual Property Organization, , ,

Production Method 9

Reaction Conditions
Reference
Substituted pyrazolyl compounds and methods employing these compounds
, United States, , ,

Ethyl 5-formyl-1H-pyrazole-3-carboxylate Raw materials

Ethyl 5-formyl-1H-pyrazole-3-carboxylate Preparation Products

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