Lot numbers can be found on the outside label of a product:
L-Phenylalanine
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CAS No. 63-91-2
- Cat. No. CS-2315
- Purity≥95%
- MDL No.MFCD00064227
*For research and further manufacturing use only, not for direct human use.
Structure of 63-91-2
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General Information
- CAS No. 63-91-2
- Cat. No. CS-2315
- Purity ≥95%
- MDL No. MFCD00064227
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₂
- Molecular Weight 165.19
- Synonym(s) (S)-2-Amino-3-phenylpropionic acid
- SMILES N[C@@H](CC1=CC=CC=C1)C(O)=O
Description
1-(2-Chlorophenyl)cyclopropan-1-amine features a rigid cyclopropane ring fused to an electron-deficient 2-chlorophenyl group, delivering enhanced metabolic stability. This structural motif enables direct incorporation into bioactive scaffolds, particularly in CNS-targeted pharmaceuticals and kinase inhibitors. The molecule exhibits favorable lipophilicity and planar geometry, facilitating membrane permeability and target engagement.
Application
1-(2-Chlorophenyl)cyclopropan-1-amine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmacologically relevant scaffolds. Its cyclopropyl amine moiety exhibits favorable metabolic stability and enhances target binding through conformational constraint. The ortho-chlorophenyl group provides a handle for further functionalization via palladium-catalyzed cross-coupling reactions. This compound demonstrates robust bench stability and compatibility with standard purification techniques, facilitating its use in multi-step synthesis workflows.
Synthesis
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Route1
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1004755-04-7 - ~47%
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In-stock
63-91-2
References
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Kaneka Corporation Patent: EP2050738 A1, 2009 ; Location in patent: Page/Page column 29-30 ;
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Route2
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1202-31-9
- ~97%
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In-stock
63-91-2
References
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Trimble, Laird A.; Vederas, John C. Journal of the American Chemical Society, 1986 , vol. 108, # 20 p. 6397 - 6399
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Route3
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136707-50-1
- ~76%
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In-stock
63-91-2
References
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Williams; Im Journal of the American Chemical Society, 1991 , vol. 113, # 24 p. 9276 - 9286
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Safety Information
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GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 63.32
- LogP 0.641
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 3
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