Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride

Name: Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride
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CAS No. 1802489-57-1
Cat. No. CS-0111473
Molecule weight255.50
Purity≥95%
MDL No.MFCD27665767

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Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride|CS-0111473

Structure of 1802489-57-1

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General Information

CAS No. 1802489-57-1
Cat. No. CS-0111473
Purity ≥95%
MDL No. MFCD27665767
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₈BrClN₂O₂
Molecular Weight 255.50
Synonym(s) Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate monohydrochloride
SMILES O=C(C1=CC(Br)=CN1N)OC.[H]Cl

Description

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride delivers a reactive bromo-pyrrole scaffold with enhanced solubility and stability. The amino group enables direct functionalization, while the methyl ester supports downstream derivatization. This bench-stable, moisture-tolerant reagent facilitates efficient access to complex heterocycles in medicinal chemistry and materials synthesis.

Application

Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyrroles via Pd-catalyzed cross-coupling and electrophilic substitution. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the protected amino and ester functionalities offer orthogonal reactivity for sequential transformations. Bench-stable and readily purified by recrystallization, it functions reliably in medicinal chemistry campaigns and API intermediate development.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 57.25
LogP 1.1728
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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Methyl 1-amino-4-bromo-1H-pyrrole-2-carboxylate hydrochloride

CAS No. 1802489-57-1

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