Lot numbers can be found on the outside label of a product:
Sitagliptin impurity 29
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CAS No. 486460-00-8
- Cat. No. CS-M3237
- Purity≥97%
- MDL No.MFCD06659147
*For research and further manufacturing use only, not for direct human use.
Structure of 486460-00-8
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General Information
- CAS No. 486460-00-8
- Cat. No. CS-M3237
- Purity ≥97%
- MDL No. MFCD06659147
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₈F₃NO₄
- Molecular Weight 333.31
- Synonym(s) None
- SMILES C([C@@H](NC(OC(C)(C)C)=O)CC(O)=O)C1=C(F)C=C(F)C(F)=C1
Description
This chiral building block features a (3R)-configured aliphatic chain bearing a trifluorophenyl group and a protected amino function. The tert-butoxycarbonyl (Boc) moiety ensures stability during synthetic manipulations, while the electron-deficient trifluorophenyl ring enhances reactivity in coupling processes. Designed for efficient incorporation into bioactive peptide sequences and pharmaceutical intermediates.
Application
(3R)-3-[(1,1-Dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoic acid serves as a key chiral building block for the synthesis of bioactive molecules, particularly in medicinal chemistry. The protected amino group enables selective deprotection and coupling reactions, while the trifluorophenyl moiety imparts enhanced metabolic stability and lipophilicity. Its bench-stable nature and compatibility with standard peptide coupling protocols facilitate efficient incorporation into complex scaffolds.
Synthesis
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References
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Zhu, Yanyun; Xia, Shuang; Zhu, Mingjie; Yi, Weiyin; Cheng, Jiagao; Song, Gonghua; Li, Zhong; Lu, Peng European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 4953 - 4962
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Route2
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1048703-14-5 - ~91%
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In-stock
486460-00-8
References
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Pan, Xianhua; Li, Xiaojun; Lu, Qingling; Yu, Wansheng; Li, Weijin; Zhang, Qunhui; Deng, Fei; Liu, Feng Tetrahedron Letters, 2013 , vol. 54, # 50 p. 6807 - 6809
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Route3
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1276113-61-1
- ~87%
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In-stock
486460-00-8
References
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Zhejiang Jiuzhou Pharmaceutical Co., Ltd. Patent: EP2481722 A1, 2012 ; Location in patent: Page/Page column 9 ;
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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 75.63
- LogP 3.0144
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 5
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Key Words
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