Lot numbers can be found on the outside label of a product:
(S)-2-((1-phenylethyl)carbamoyl)benzoic acid
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CAS No. 21752-36-3
- Cat. No. CS-0140575
- Purity≥98%
- MDL No.MFCD00013979
*For research and further manufacturing use only, not for direct human use.
Structure of 21752-36-3
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General Information
- CAS No. 21752-36-3
- Cat. No. CS-0140575
- Purity ≥98%
- MDL No. MFCD00013979
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₅NO₃
- Molecular Weight 269.30
- Synonym(s) (S)-(-)-N-(1-Phenylethyl)phthalamic Acid
- SMILES OC(C1=C(C(N[C@@H](C)C2=CC=CC=C2)=O)C=CC=C1)=O
Description
This chiral benzoic acid derivative features a (S)-configured carbamoyl group attached to a phenylethyl moiety, enabling precise stereochemical control in asymmetric synthesis. The conjugated aromatic system enhances stability and facilitates integration into complex molecular architectures. Ideal for peptide mimetics and pharmaceutical intermediates requiring defined stereochemistry and enhanced solubility under standard conditions.
Application
(S)-2-((1-Phenylethyl)carbamoyl)benzoic acid serves as a chiral building block for medicinal chemistry applications, enabling the synthesis of bioactive molecules through amide coupling and subsequent transformations. Its bench-stable structure features orthogonal functional groups—carboxylic acid and carbamoyl—that facilitate modular derivatization under standard conditions. The (S)-configuration provides stereochemical control in target-oriented synthesis, particularly relevant in peptidomimetic and heterocyclic scaffold construction.
Synthesis
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Route1
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85-44-9 -
In-stock
2627-86-3 - ~78%
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In-stock
21752-36-3
References
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NEON LABORATORIES LIMITED; DALVI, Mahesh Bhagoji; KENNY, Rajesh Shashikant; TARADE, Pradeep Kisan Patent: WO2014/9964 A1, 2014 ; Location in patent: Page/Page column 17 ;
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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
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Precautionary Statements : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 66.4
- LogP 2.8758
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 4
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Key Words
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