1-Benzyl-1H-pyrazol-4-amine

Name: 1-Benzyl-1H-pyrazol-4-amine
Brand: ChemScene
Availability: InStock
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CAS No. 28466-62-8
Cat. No. CS-0022301
Purity≥95%
MDL No.MFCD01693690

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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General Information

CAS No. 28466-62-8
Cat. No. CS-0022301
Purity ≥95%
MDL No. MFCD01693690
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁N₃
Molecular Weight 173.21
Synonym(s) 1H-Pyrazol-4-amine, 1-(phenylmethyl)-
SMILES NC1=CN(CC2=CC=CC=C2)N=C1

Description

1-Benzyl-1H-pyrazol-4-amine features a pyrazole core functionalized with a benzyl group at N1 and an amino substituent at C4, delivering enhanced solubility and stability. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitors and antitumor agents, due to its ability to form hydrogen bonds and engage in π-stacking interactions.

Application

1-Benzyl-1H-pyrazol-4-amine serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds through standard functional group transformations. Its bench-stable nature and tolerance to diverse reaction conditions facilitate straightforward derivatization, including coupling reactions and electrophilic substitutions, making it well-suited for the synthesis of targeted heterocyclic compounds and API intermediates.

Synthesis

Route1
- In-stock
  
  88095-61-8
- ~%
- In-stock
  
  28466-62-8
References
- Baumann, Karlheinz; Goetschi, Erwin; Jolidon, Synese; Limberg, Anja; Luebbers, Thomas Patent: US2010/120874 A1, 2010 ; Location in patent: Page/Page column 28 ;
Route2
- 100-39-0
- ~%
- In-stock
  
  28466-62-8
References
- Abbott Laboratories Patent: US2010/317680 A1, 2010 ; US 20100317680 A1

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-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 43.84
LogP 1.5136
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Benzyl-1H-pyrazol-4-amine

CAS No. 28466-62-8

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