Lot numbers can be found on the outside label of a product:
2-Amino-2-(p-tolyl)acetic acid
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CAS No. 13227-01-5
- Cat. No. CS-W006187
- Purity≥96%
- MDL No.MFCD00665357
*For research and further manufacturing use only, not for direct human use.
Structure of 13227-01-5
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General Information
- CAS No. 13227-01-5
- Cat. No. CS-W006187
- Purity ≥96%
- MDL No. MFCD00665357
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₂
- Molecular Weight 165.19
- Synonym(s) (Rac)-H-Phg(4-Me)-OH
- SMILES CC1=CC=C(C(N)C(O)=O)C=C1
Description
2-Amino-2-(p-tolyl)acetic acid features a para-tolyl group that enhances lipophilicity and metabolic stability, while the α-amino carboxylic acid scaffold provides a rigid, stereogenic center suitable for chiral synthesis. This bench-stable compound serves as a direct precursor in peptide mimetics and asymmetric catalysis, offering improved solubility in organic solvents compared to simpler analogs.
Application
2-Amino-2-(p-tolyl)acetic acid serves as a valuable chiral building block in medicinal chemistry, enabling the synthesis of β-amino acids and heterocyclic scaffolds. Its bench-stable nature and tolerance to common functional groups facilitate straightforward incorporation into peptide-like frameworks and API intermediates. The p-tolyl substituent enhances lipophilicity and metabolic stability, making it suitable for drug discovery applications requiring optimized physicochemical properties.
Synthesis
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Route1
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271583-31-4 - ~80%
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In-stock
13227-01-5
References
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Davies, Antony J.; Ashwood, Michael S.; Cottrell, Ian F. Synthetic Communications, 2000 , vol. 30, # 6 p. 1095 - 1102
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Route2
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56464-69-8 - ~%
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In-stock
13227-01-5
References
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Phytochemistry, , vol. 59, # 1 p. 9 - 21
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Route3
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65551-45-3 - ~%
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In-stock
13227-01-5
References
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Synthetic Communications, , vol. 30, # 6 p. 1095 - 1102
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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 63.32
- LogP 1.07942
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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