Lot numbers can be found on the outside label of a product:
α,α-Difluorobenzeneacetic acid
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CAS No. 360-03-2
- Cat. No. CS-0020171
- Purity≥98%
- MDL No.MFCD00498146
*For research and further manufacturing use only, not for direct human use.
Structure of 360-03-2
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General Information
- CAS No. 360-03-2
- Cat. No. CS-0020171
- Purity ≥98%
- MDL No. MFCD00498146
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆F₂O₂
- Molecular Weight 172.13
- Synonym(s) 2,2-Difluoro-2-phenylacetic acid; Difluorophenylacetic acid; α,α-Difluorophenylacetic acid; DIFLUORO(PHENYL)ACETIC ACID
- SMILES FC(C(O)=O)(F)C1=CC=CC=C1
Description
α,α-Difluorobenzeneacetic acid features a highly fluorinated benzylic carbon bearing two electronegative fluorine atoms, imparting enhanced metabolic stability and altered electronic properties. This structural motif enables direct incorporation into bioactive scaffolds where lipophilicity and resistance to oxidative degradation are critical. The molecule serves as a strategic building block for medicinal chemistry campaigns targeting CNS-active compounds and kinase inhibitors.
Application
α,α-Difluorobenzeneacetic acid serves as a valuable building block in medicinal chemistry, enabling the introduction of fluorinated alkyl groups into bioactive molecules. Its stability and compatibility with standard synthetic transformations facilitate efficient incorporation into pharmaceutical scaffolds. The geminal difluoro moiety imparts enhanced metabolic stability and modulates lipophilicity, making it particularly useful in optimizing drug-like properties.
Synthesis
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Route1
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103-80-0 - ~61%
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In-stock
360-03-2
References
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Bloom, Steven; Scerba, Michael T.; Erb, Jeremy; Lectka, Thomas Organic Letters, 2011 , vol. 13, # 19 p. 5068 - 5071
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Route2
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124-38-9
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98-08-8
- ~86%
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In-stock
360-03-2
References
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Yamauchi, Yusuke; Fukuhara, Tsuyoshi; Hara, Shoji; Senboku, Hisanori Synlett, 2008 , # 3 p. 428 - 442
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Route3
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In-stock
2248-46-6 - ~51%
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In-stock
360-03-2
References
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Middleton, W. J.; Bingham, E. M. Journal of Organic Chemistry, 1980 , vol. 45, # 14 p. 2883 - 2887
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 1.863
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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