tert-Butyl 1H-pyrazole-1-carboxylate

Name: tert-Butyl 1H-pyrazole-1-carboxylate
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CAS No. 219580-32-2
Cat. No. CS-W002695
Purity≥97%
MDL No.MFCD00800729

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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tert-Butyl 1H-pyrazole-1-carboxylate|CS-W002695

Structure of 219580-32-2

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General Information

CAS No. 219580-32-2
Cat. No. CS-W002695
Purity ≥97%
MDL No. MFCD00800729
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₂N₂O₂
Molecular Weight 168.19
Synonym(s) 1-Boc-pyrazole
SMILES CC(C)(OC(N1C=CC=N1)=O)C

Description

tert-Butyl 1H-pyrazole-1-carboxylate serves as a stable, bench-ready building block for constructing pyrazole-based scaffolds in medicinal chemistry and materials science. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, while the pyrazole core offers versatile reactivity for transition metal-catalyzed couplings and functionalization.

Application

tert-Butyl 1H-pyrazole-1-carboxylate serves as a stable, bench-ready building block for the synthesis of pyrazole-containing scaffolds. Its tert-butyl carbamate group enables straightforward deprotection under mild acidic conditions, while the pyrazole ring participates reliably in palladium-catalyzed couplings and electrophilic functionalizations. This compound facilitates efficient access to diverse heterocyclic architectures relevant to medicinal chemistry and agrochemical research.

Synthesis

Route1
- In-stock
  
  288-13-1
- In-stock
  
  24424-99-5
- ~89%
- In-stock
  
  219580-32-2
References
- Das, Biswanath; Venkateswarlu, Katta; Krishnaiah, Maddeboina; Holla, Harish Tetrahedron Letters, 2006 , vol. 47, # 43 p. 7551 - 7556
Route2
- In-stock
  
  102-52-3
- In-stock
  
  870-46-2
- ~65%
- In-stock
  
  219580-32-2
References
- Kashima, Choji; Tsuruoka, Shiro; Mizuhara, Saori Tetrahedron, 1998 , vol. 54, # 49 p. 14679 - 14688

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 44.12
LogP 1.6663
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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tert-Butyl 1H-pyrazole-1-carboxylate

CAS No. 219580-32-2

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