5-Amino-4-carbethoxy-1-phenylpyrazole

Name: 5-Amino-4-carbethoxy-1-phenylpyrazole
Brand: ChemScene
Availability: InStock
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CAS No. 16078-71-0
Cat. No. CS-W022698
Purity≥98%
MDL No.MFCD00020731

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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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5-Amino-4-carbethoxy-1-phenylpyrazole|CS-W022698

Structure of 16078-71-0

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General Information

CAS No. 16078-71-0
Cat. No. CS-W022698
Purity ≥98%
MDL No. MFCD00020731
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₃N₃O₂
Molecular Weight 231.25
Synonym(s) None
SMILES CCOC(=O)C1=C(N)N(N=C1)C1=CC=CC=C1

Description

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate features a conjugated pyrazole core with an electron-rich amino group and a phenyl substituent, enabling facile functionalization in heterocyclic synthesis. The ester handle supports derivatization under standard conditions, while the bench-stable scaffold facilitates incorporation into pharmaceutical intermediates and bioactive molecule libraries.

Application

Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling the synthesis of diverse pyrazole-based scaffolds. The amino and ester functionalities offer orthogonal reactivity for sequential derivatization, including acylation, alkylation, and coupling reactions. Its bench-stable nature and compatibility with standard purification methods facilitate efficient integration into multi-step syntheses.

Synthesis

Route1
- In-stock
  
  42466-67-1
- 100-63-0
- ~99%
- In-stock
  
  16078-71-0
References
- Kopp; Lancelot; Dallemagne; Rault Journal of Heterocyclic Chemistry, 2001 , vol. 38, # 5 p. 1045 - 1050
Route2
- 100-63-0
- In-stock
  
  94-05-3
- ~91%
- In-stock
  
  16078-71-0
References
- Pandey, Garima; Bhowmik, Subhendu; Batra, Sanjay Organic Letters, 2013 , vol. 15, # 19 p. 5044 - 5047
Route3
- In-stock
  
  591-50-4
- 6994-25-8
- ~41%
- In-stock
  
  16078-71-0
- In-stock
  
  16078-63-0
References
- European Journal of Medicinal Chemistry, , vol. 46, # 9 p. 3867 - 3876

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

Quality Control

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Computational Chemistry Data

TPSA 70.14
LogP 1.6312
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Amino-4-carbethoxy-1-phenylpyrazole

CAS No. 16078-71-0

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