Cas no 2199-46-4 (Ethyl 3,4,5-trimethylpyrrole-2-carboxylate)

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate structure
2199-46-4 structure
Product Name:Ethyl 3,4,5-trimethylpyrrole-2-carboxylate
CAS No:2199-46-4
MF:C10H15NO2
MW:181.231602907181
MDL:MFCD00051948
CID:84171
PubChem ID:137479
Update Time:2025-04-18

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3,4,5-trimethylpyrrole-2-carboxylate
    • 3,4,5-Trimethylpyrrole-2-carboxylic acid ethyl ester
    • ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
    • 2,3,4-trimethyl-5-ethoxycarbonylpyrrole
    • 2-ethoxycarbonyl-3,4,5-trimethylpyrrole
    • 3,4,5-Trimethyl-pyrrol-2-carbonsaeure-aethylester
    • ETHYL 3,4,5-TRIMETHYL-2-PYRROLECARBOXYLATE
    • NSC 15767
    • Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester
    • SR-01000500434-1
    • 2,3,4-Trimethyl-5-carbethoxy-pyrrole
    • CAA19946
    • FT-0626005
    • SY101010
    • MFCD00051948
    • SCHEMBL2565795
    • SB63578
    • NSC-15767
    • HMS547A07
    • Maybridge1_001943
    • HMS2365M21
    • ?ETHYL 3,4,5-TRIMETHYLPYRROLE-2-CARBOXYLATE
    • DTXSID60176412
    • ethyl 3, 4, 5-trimethyl-1H-pyrrole-2-carboxylate
    • AS-67194
    • EU-0079419
    • SR-01000500434
    • AKOS005524469
    • MLS000042963
    • D95952
    • NSC15767
    • CHEMBL1701700
    • 1H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester
    • 2199-46-4
    • SMR000019390
    • Ethyl3,4,5-trimethyl-1H-pyrrole-2-carboxylate
    • CS-0320674
    • 1H-Pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester
    • MDL: MFCD00051948
    • Inchi: 1S/C10H15NO2/c1-5-13-10(12)9-7(3)6(2)8(4)11-9/h11H,5H2,1-4H3
    • InChI Key: WBOGFZDTCIQHSX-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)C(C)=C(C)N1)=O
    • BRN: 132613

Computed Properties

  • Exact Mass: 181.11000
  • Monoisotopic Mass: 181.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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: 8
  • XLogP3: 2.4
  • Topological Polar Surface Area: 42.1A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.059
  • Melting Point: 125-126°C
  • Boiling Point: 298.1°Cat760mmHg
  • Flash Point: 134.1°C
  • Refractive Index: 1.515
  • PSA: 42.09000
  • LogP: 2.11660
  • Solubility: Not determined

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate Security Information

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate Pricemore >>

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Ethyl 3,4,5-trimethylpyrrole-2-carboxylate Related Literature

  • 1. 842. Porphyrins. Part I. Intramolecular hydrogen bonding in pyrromethenes and porphyrins
    G. M. Badger,R. L. N. Harris,R. A. Jones,Jenneth M. Sasse J. Chem. Soc. 1962 4329
  • 2. 373. Pyrroles and related compounds. Part III. Syntheses of porphyrins from pyrromethanes and pyrromethenes
    J. Ellis,A. H. Jackson,A. C. Jain,G. W. Kenner J. Chem. Soc. 1964 1935
  • 3. 287. A synthesis of coproporphyrin III
    E. Bullock,A. W. Johnson,E. Markham,K. B. Shaw J. Chem. Soc. 1958 1430
  • 4. 328. Chlorophyll and related substances. Part III. The synthesis of octamethylchlorin
    Ulli Eisner,R. P. Linstead,E. A. Parkes,Edith Stephen J. Chem. Soc. 1956 1655
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