Cas no 1208361-39-0 (Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate)

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate is a versatile heterocyclic building block used in organic synthesis and pharmaceutical research. Its structure features both an amino and a bromo substituent on the pyrrole ring, along with an ester group, enabling diverse functionalization through nucleophilic substitution or cross-coupling reactions. The bromo group facilitates further derivatization via metal-catalyzed reactions, while the ester moiety offers flexibility for hydrolysis or reduction. This compound is particularly valuable in the synthesis of pyrrole-based scaffolds, which are prevalent in medicinal chemistry. Its stability and well-defined reactivity make it a reliable intermediate for constructing complex molecules. Proper handling under inert conditions is recommended due to its sensitivity.
Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate structure
1208361-39-0 structure
Product Name:Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate
CAS No:1208361-39-0
MF:C6H7BrN2O2
MW:219.035980463028
MDL:MFCD13193220
CID:1094480
PubChem ID:58423493
Update Time:2025-10-19

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate
    • methyl 1-amino-4-bromopyrrole-2-carboxylate
    • SB62258
    • Methyl1-amino-4-bromo-1H-pyrrole-2-carboxylate
    • ACXDDRPCBGQPBV-UHFFFAOYSA-N
    • methyl 4-bromo-1-aminopyrrole-2-carboxylate hydrochloride
    • MFCD13193220
    • SCHEMBL1966318
    • 1-amino-4-bromo-1H-pyrrole-2-carboxylic acid methyl ester
    • DB-092960
    • CS-0108461
    • AT10794
    • 1208361-39-0
    • MDL: MFCD13193220
    • Inchi: 1S/C6H7BrN2O2/c1-11-6(10)5-2-4(7)3-9(5)8/h2-3H,8H2,1H3
    • InChI Key: ACXDDRPCBGQPBV-UHFFFAOYSA-N
    • SMILES: BrC1=CN(C(C(=O)OC)=C1)N

Computed Properties

  • Exact Mass: 217.96909g/mol
  • Monoisotopic Mass: 217.96909g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 165
  • 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: 1.8
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • Density: 1.77±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (3.3 g/l) (25 o C),

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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abcr
AB463294-250 mg
Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate; .
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€298.00 2023-04-21
abcr
AB463294-1 g
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