Pregabalin impurity 3

Name: Pregabalin impurity 3
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 181289-33-8
Cat. No. CS-0030799
Purity≥97%
MDL No.MFCD09028111

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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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Structure of 181289-33-8

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General Information

CAS No. 181289-33-8
Cat. No. CS-0030799
Purity ≥97%
MDL No. MFCD09028111
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₇NO₃
Molecular Weight 187.24
Synonym(s) None
SMILES [C@@H](CC(C)C)(CC(N)=O)CC(O)=O

Application

(R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid serves as a chiral building block for peptide-based drug discovery, enabling the synthesis of bioactive peptidomimetics. Its α-amino ketone functionality facilitates reductive amination and condensation reactions under standard conditions, while the stereogenic center ensures high diastereoselectivity in downstream transformations. The molecule exhibits good bench stability and is amenable to purification via standard chromatographic methods, supporting scalable synthesis in medicinal chemistry workflows.

Synthesis

Route1
- 1237492-10-2
- ~90%
- In-stock
  
  181289-33-8
References
- WO2010/86429 A2, ; Page/Page column 27 ;
Route2
- 1385049-51-3
- ~54%
- In-stock
  
  181289-33-8
References
- WO2012/93411 A2, ; Page/Page column 23 ;
Route3
- 181289-25-8
- ~60%
- In-stock
  
  181289-33-8
References
- US2007/293694 A1, ; Page/Page column 10-11 ;

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 80.39
LogP 0.9988
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Amide

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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Pregabalin impurity 3

CAS No. 181289-33-8

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