Cas no 120935-94-6 (Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate)

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate is a brominated pyrrole derivative with a methyl ester functional group, commonly employed as an intermediate in organic synthesis and pharmaceutical research. Its key structural features—the bromine substituent and ester group—enhance reactivity, facilitating further functionalization via cross-coupling reactions or nucleophilic substitutions. The compound's stability under standard conditions and well-defined reactivity profile make it a valuable precursor for constructing complex heterocyclic frameworks. Its utility extends to medicinal chemistry, where pyrrole scaffolds are of interest for bioactive molecule development. The product is typically characterized by high purity, ensuring reproducibility in synthetic applications. Proper handling under inert conditions is recommended due to its sensitivity to moisture and light.
Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate structure
120935-94-6 structure
Product Name:Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS No:120935-94-6
MF:C8H10BrNO2
MW:232.074501514435
CID:133882
PubChem ID:2798469
Update Time:2025-05-27

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
    • 1H-Pyrrole-3-carboxylicacid, 4-bromo-2,5-dimethyl-, methyl ester
    • 4-Bromo-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
    • OR29454
    • CM10707
    • FCH1322928
    • ZB008549
    • AX8138922
    • ST2413392
    • 120935-94-6
    • DS-3100
    • SCHEMBL6468905
    • VEA93594
    • Methyl 4-bromo-2 pound not5-dimethyl-1H-pyrrole-3-carboxylate
    • AKOS015908603
    • SB62617
    • CS-0454231
    • DTXSID10384005
    • FT-0628619
    • MDL： MFCD00203873
    • Inchi： 1S/C8H10BrNO2/c1-4-6(8(11)12-3)7(9)5(2)10-4/h10H,1-3H3
    • InChI Key： LGBDYFSMZPRVLL-UHFFFAOYSA-N
    • SMILES： BrC1=C(C)NC(C)=C1C(=O)OC

Computed Properties

  • Exact Mass: 230.98900
  • Monoisotopic Mass: 230.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 2.1
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Color/Form: No data available
  • Density: 1.503±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 344.5°C at 760 mmHg
  • Flash Point: 162.2°C
  • Refractive Index: 1.558
  • Solubility: Very slightly soluble (0.95 g/l) (25 o C),
  • PSA: 42.09000
  • LogP: 2.18060

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate Security Information

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-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%

Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate Pricemore >>

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