Lot numbers can be found on the outside label of a product:
2-Cyclohexylpropanoic acid
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CAS No. 6051-13-4
- Cat. No. CS-W021685
- Purity≥97%
- MDL No.MFCD00268172
*For research and further manufacturing use only, not for direct human use.
Structure of 6051-13-4
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General Information
- CAS No. 6051-13-4
- Cat. No. CS-W021685
- Purity ≥97%
- MDL No. MFCD00268172
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₆O₂
- Molecular Weight 156.22
- Synonym(s) α-Methylcyclohexaneacetic acid
- SMILES CC(C1CCCCC1)C(O)=O
Description
2-Cyclohexylpropanoic acid features a sterically hindered alkyl chain fused to a cyclohexyl ring, delivering enhanced metabolic stability and lipophilicity. This structural motif enables efficient integration into bioactive scaffolds for medicinal chemistry applications, particularly in optimizing pharmacokinetic profiles of target-directed molecules.
Application
2-Cyclohexylpropanoic acid serves as a valuable chiral building block in medicinal chemistry, enabling the synthesis of bioactive molecules through established coupling and functionalization protocols. Its rigid cyclohexyl substituent provides enhanced metabolic stability and defined stereochemistry, while the carboxylic acid group facilitates direct amidation, esterification, and derivatization under standard conditions. Bench-stable and amenable to purification via recrystallization or chromatography, it functions effectively in both small-molecule discovery and process development workflows.
Synthesis
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Route1
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In-stock
492-37-5 - ~91%
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In-stock
6051-13-4
References
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Ghorai, Prasanta; Kraus, Anja; Keller, Max; Goette, Carsten; Igel, Patrick; Schneider, Erich; Schnell, David; Bernhardt, Guenther; Dove, Stefan; Zabel, Manfred; Elz, Sigurd; Seifert, Roland; Buschauer, Armin Journal of Medicinal Chemistry, 2008 , vol. 51, # 22 p. 7193 - 7204
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Route2
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40556-79-4 - ~92%
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In-stock
6051-13-4
References
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Kao Corporation Patent: US5049544 A1, 1991 ;
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Route3
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In-stock
5292-21-7 -
74-88-4 - ~79%
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In-stock
6051-13-4
References
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Toray Industries, Inc. Patent: US4775692 A1, 1988 ;
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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 37.3
- LogP 2.2874
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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