tert-Butyl 4-amino-1H-pyrazole-1-carboxylate

Name: tert-Butyl 4-amino-1H-pyrazole-1-carboxylate
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CAS No. 1018446-95-1
Cat. No. CS-0021375
Molecule weight183.21
Purity≥98%
MDL No.MFCD20697038

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tert-Butyl 4-amino-1H-pyrazole-1-carboxylate|CS-0021375

Structure of 1018446-95-1

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General Information

CAS No. 1018446-95-1
Cat. No. CS-0021375
Purity ≥98%
MDL No. MFCD20697038
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₃N₃O₂
Molecular Weight 183.21
Synonym(s) None
SMILES O=C(N1N=CC(N)=C1)OC(C)(C)C

Description

tert-Butyl 4-amino-1H-pyrazole-1-carboxylate features a pyrazole core with a strategically positioned amino group and a bench-stable tert-butyl ester, enabling direct incorporation into diverse synthetic sequences. This stable scaffold facilitates efficient access to functionalized heterocycles through straightforward deprotection or coupling reactions.

Application

tert-Butyl 4-amino-1H-pyrazole-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through standard amine functionalization and coupling reactions. The tert-butyl carbamate group provides excellent bench stability and facilitates straightforward deprotection under mild acidic conditions. Its compatibility with diverse reaction conditions makes it well-suited for iterative synthesis of heterocyclic compounds and API intermediates.

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 70.14
LogP 1.2485
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 4-amino-1H-pyrazole-1-carboxylate

CAS No. 1018446-95-1

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