Lot numbers can be found on the outside label of a product:
Sitagliptin impurity 5
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CAS No. 936630-57-8
- Cat. No. CS-0012818
- Purity≥95%
- MDL No.MFCD07363507
*For research and further manufacturing use only, not for direct human use.
Structure of 936630-57-8
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General Information
- CAS No. 936630-57-8
- Cat. No. CS-0012818
- Purity ≥95%
- MDL No. MFCD07363507
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀F₃NO₂
- Molecular Weight 233.19
- Synonym(s) None
- SMILES FC1=CC(C[C@@H](N)CC(O)=O)=C(F)C=C1F
Description
(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid is a chiral building block featuring a sterically hindered amino acid scaffold with a trifluorophenyl group that imparts enhanced metabolic stability. This configuration enables efficient incorporation into peptide-based pharmaceuticals, particularly where electron-deficient aromatic moieties are required for target engagement. The molecule exhibits excellent bench-stability and solubility under standard conditions.
Application
(R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoic acid serves as a valuable chiral building block for the synthesis of bioactive molecules, particularly in medicinal chemistry and peptide-based drug discovery. Its well-defined stereochemistry and compatibility with standard amino acid transformations enable reliable incorporation into complex scaffolds. The trifluorophenyl group enhances metabolic stability and modulates lipophilicity, while the pendant amine and carboxylic acid functionalities allow for diverse conjugation strategies. Bench-stable and amenable to purification via crystallization or chromatography, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable reactivity.
Synthesis
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Route1
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1334630-72-6 - ~95%
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In-stock
936630-57-8
References
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ZHEJIANG JIUZHOU PHARMACEAUTICAL CO., LTD.; Gao, Hongjun; Li, Min Patent: US2013/12735 A1, 2013 ; Location in patent: Paragraph 0067 ;
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Route2
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1253056-05-1
- ~%
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In-stock
936630-57-8
References
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WO2010/122578 A2, ; Page/Page column 59 ;
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Route3
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1246961-45-4
- ~%
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In-stock
936630-57-8
References
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US2012/16126 A1, ; Page/Page column 7-8 ; US 20120016126 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 63.32
- LogP 1.4484
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 4
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Key Words
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