Lot numbers can be found on the outside label of a product:
(S)-Methyl 3-amino-3-phenylpropanoate
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CAS No. 37088-66-7
- Cat. No. CS-0031374
- Purity≥97%
- MDL No.MFCD08056711
*For research and further manufacturing use only, not for direct human use.
Structure of 37088-66-7
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General Information
- CAS No. 37088-66-7
- Cat. No. CS-0031374
- Purity ≥97%
- MDL No. MFCD08056711
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₂
- Molecular Weight 179.22
- Synonym(s) methyl (3S)-3-amino-3-phenylpropanoate
- SMILES O=C(C[C@@H](C1=CC=CC=C1)N)OC
Description
(S)-Methyl 3-amino-3-phenylpropanoate is a chiral building block featuring a stereodefined amino group flanked by a phenyl ring and ester functionality. This configuration enables selective incorporation into bioactive molecules, particularly in the synthesis of pharmaceutical intermediates where stereochemistry governs target engagement. The molecule exhibits favorable solubility and stability under standard reaction conditions.
Application
(S)-Methyl 3-amino-3-phenylpropanoate serves as a valuable chiral building block in medicinal chemistry, enabling efficient access to biologically relevant β-aryl-α-amino acid scaffolds. Its bench-stable nature and tolerance to common functional groups facilitate straightforward derivatization via amidation, alkylation, and coupling reactions. The molecule functions as a key intermediate in the synthesis of protease inhibitors and other targeted therapeutics, offering high enantioselectivity in downstream transformations.
Synthesis
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Route1
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In-stock
614-27-7 - ~81%
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In-stock
37088-66-7
References
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Matsumura, Kazuhiko; Zhang, Xiaoyong; Hori, Kiyoto; Murayama, Toshiyuki; Ohmiya, Tadamasa; Shimizu, Hideo; Saito, Takao; Sayo, Noboru Organic Process Research and Development, 2011 , vol. 15, # 5 p. 1130 - 1137
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Route2
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86971-60-0 - ~99%
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In-stock
37088-66-7
References
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Hsiao, Yi; Rivera, Nelo R.; Rosner, Thorsten; Krska, Shane W.; Njolito, Eugenia; Wang, Fang; Sun, Yongkui; Armstrong III, Joseph D.; Grabowski, Edward J. J.; Tillyer, Richard D.; Spindler, Felix; Malan, Christophe Journal of the American Chemical Society, 2004 , vol. 126, # 32 p. 9918 - 9919
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Route3
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67-56-1
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In-stock
614-19-7 - ~97%
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In-stock
37088-66-7
References
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Davies, Stephen G.; Garrido, Narciso M.; Ichihara, Osamu; Walters, Iain A. S. Journal of the Chemical Society, Chemical Communications, 1993 , # 14 p. 1153 - 1155
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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 52.32
- LogP 1.2495
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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