Lot numbers can be found on the outside label of a product:
4-Methylpent-4-enoic acid
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CAS No. 1001-75-8
- Cat. No. CS-0040142
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1001-75-8
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General Information
- CAS No. 1001-75-8
- Cat. No. CS-0040142
- Purity ≥97%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₀O₂
- Molecular Weight 114.14
- Synonym(s) 4-Methyl-4-pentenoic acid
- SMILES C=C(C)CCC(O)=O
Description
4-Methylpent-4-enoic acid features a conjugated enoic acid scaffold with a methyl-substituted double bond, offering enhanced stability and predictable reactivity in synthetic transformations. This electron-deficient alkene integrates readily into Michael addition cascades and serves as a key building block for bioactive heterocycles and functionalized polymers under standard conditions.
Application
4-Methylpent-4-enoic acid serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized alkenyl and heterocyclic frameworks. Its conjugated enoic acid structure facilitates reliable Michael additions, Diels-Alder reactions, and palladium-catalyzed couplings. The methyl substituent enhances steric control and metabolic stability in downstream applications. Bench-stable and readily purified by recrystallization, it functions effectively in both small-molecule synthesis and medicinal chemistry campaigns requiring α,β-unsaturated carboxylic acid motifs.
Synthesis
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Route1
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In-stock
4911-54-0 - ~96%
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In-stock
1001-75-8
References
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Braddock, D. Christopher; Cansell, Gemma; Hermitage, Stephen A. Chemical Communications, 2006 , # 23 p. 2483 - 2485
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Route2
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2258-59-5 - ~99%
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In-stock
1001-75-8
References
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Coperet, Christophe; Negishi, Ei-Ichi Organic Letters, 1999 , vol. 1, # 1 p. 165 - 167
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Route3
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1779-49-3
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In-stock
123-76-2 - ~63%
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In-stock
1001-75-8
References
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Nicolai, Stefano; Piemontesi, Cyril; Waser, Jerome Angewandte Chemie - International Edition, 2011 , vol. 50, # 20 p. 4680 - 4683
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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 1.4273
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 3
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Key Words
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