Lot numbers can be found on the outside label of a product:
Methyl 2-phenylpropanoate
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CAS No. 31508-44-8
- Cat. No. CS-0047037
- Purity≥98%
- MDL No.MFCD06795946
*For research and further manufacturing use only, not for direct human use.
Structure of 31508-44-8
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General Information
- CAS No. 31508-44-8
- Cat. No. CS-0047037
- Purity ≥98%
- MDL No. MFCD06795946
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₂
- Molecular Weight 164.20
- Synonym(s) R,S-2-Phenyl-propionicacidmethylester
- SMILES O=C(C(C1=CC=CC=C1)C)OC
Description
Methyl 2-phenylpropanoate is a bench-stable ester featuring a chiral α-carbon flanked by a phenyl group and a methyl substituent. This structural motif delivers enhanced stability and predictable reactivity in synthetic transformations. The molecule integrates readily into asymmetric synthesis workflows, serving as a valuable building block for pharmaceutical intermediates and functionalized hydrocarbons.
Application
Methyl 2-phenylpropanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to chiral benzylic motifs via standard functional group transformations. Its bench-stable nature and compatibility with diverse reaction conditions facilitate downstream derivatization, including reductions, hydrolyses, and coupling reactions. The molecule functions as a key intermediate in the synthesis of pharmaceutical scaffolds and agrochemicals, offering predictable reactivity and straightforward purification.
Synthesis
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Route1
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116333-32-5 - ~%
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In-stock
31508-44-8
References
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Uemura, Sakae; Ohe, Kouichi; Yamauchi, Takayoshi; Mizutaki, Shoichi; Tamaki, Kentaro Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 4 p. 907 - 910
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Route2
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100-52-7
- ~%
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In-stock
31508-44-8
References
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Uemura, Sakae; Ohe, Kouichi; Yamauchi, Takayoshi; Mizutaki, Shoichi; Tamaki, Kentaro Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 4 p. 907 - 910
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Route3
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4369-00-0 - ~%
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In-stock
31508-44-8
References
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McElvain; Stevens Journal of the American Chemical Society, 1946 , vol. 68, p. 1917,1921
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.9631
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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