Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate

Name: Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate
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CAS No. 56984-32-8
Cat. No. CS-0042990
Molecule weightNone
Purity≥96%
MDL No.MFCD03265503

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Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate|CS-0042990

Structure of 56984-32-8

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General Information

CAS No. 56984-32-8
Cat. No. CS-0042990
Purity ≥96%
MDL No. MFCD03265503
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₉ClN₂O₂
Molecular Weight None
Synonym(s) 5-chloro-1-methyl-1H-pyrazole-4-carboxylic acid,ethyl ester
SMILES O=C(C1=C(Cl)N(C)N=C1)OCC

Description

Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate features a chlorinated pyrazole core with dual functional handles: a methyl group at N1 and an ethyl ester at C4. This electron-deficient heterocycle integrates readily into medicinal chemistry scaffolds, enabling direct coupling in cross-coupling reactions. The molecule exhibits bench-stable handling characteristics and compatibility under standard synthetic conditions.

Application

Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of pyrazole-based scaffolds. The molecule combines a chloro substituent at C5 with a methyl group at N1 and an ester functionality at C4, offering orthogonal reactivity for nucleophilic substitution, cross-coupling, and heterocycle elaboration. Its bench stability and compatibility with standard reaction conditions facilitate straightforward purification and integration into multi-step synthetic sequences.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 44.12
LogP 1.2502
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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Ethyl 5-chloro-1-methyl-1H-pyrazole-4-carboxylate

CAS No. 56984-32-8

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