Pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Name: Pyrrolo[1,2-b]pyridazine-6-carboxylic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 118768-13-1
Cat. No. CS-0134487
Purity≥97%
MDL No.MFCD20646267

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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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Pyrrolo[1,2-b]pyridazine-6-carboxylic acid|CS-0134487

Structure of 118768-13-1

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General Information

CAS No. 118768-13-1
Cat. No. CS-0134487
Purity ≥97%
MDL No. MFCD20646267
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆N₂O₂
Molecular Weight 162.15
Synonym(s) H-pyrrolo[1,2-b]pyridazine-6-carboxylic acid
SMILES O=C(C1=CN2N=CC=CC2=C1)O

Description

Pyrrolo[1,2-b]pyridazine-6-carboxylic acid features a fused heterocyclic core with a carboxylic acid at the 6-position, enabling direct conjugation or derivatization. This scaffold combines electron-deficient aromaticity with a polar functional group, enhancing solubility and facilitating integration into bioactive molecules and medicinal chemistry libraries.

Application

Pyrrolo[1,2-b]pyridazine-6-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical research. Its rigid fused scaffold offers enhanced metabolic stability and facilitates hydrogen bonding in target binding pockets. The carboxylic acid group enables straightforward derivatization via amide coupling, esterification, or salt formation, supporting diverse functionalization strategies. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step syntheses and scale-up processes.

Synthesis

Route1
- 120266-84-4
- ~%
- In-stock
  
  118768-13-1
References
- Letsinger; Lasco Journal of Organic Chemistry, 1956 , vol. 21, p. 764
Route2
- 7593-57-9
- ~%
- In-stock
  
  118768-13-1
References
- Letsinger; Lasco Journal of Organic Chemistry, 1956 , vol. 21, p. 764

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 54.6
LogP 1.0325
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyridazine compounds

Key Words

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Pyrrolo[1,2-b]pyridazine-6-carboxylic acid

CAS No. 118768-13-1

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