Lot numbers can be found on the outside label of a product:
Methyl 3-hydroxy-3-methylbutanoate
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CAS No. 6149-45-7
- Cat. No. CS-0187490
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 6149-45-7
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General Information
- CAS No. 6149-45-7
- Cat. No. CS-0187490
- Purity ≥95%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₂O₃
- Molecular Weight 132.16
- Synonym(s) 3-Hydroxy-3-methylbutanoic acid methyl ester
- SMILES CC(C)(O)CC(OC)=O
Description
Methyl 3-hydroxy-3-methylbutanoate features a tertiary alcohol moiety flanked by ester and methyl groups, conferring enhanced stability and solubility in polar organic solvents. This structural motif enables efficient incorporation into complex synthetic pathways, particularly in the construction of chiral building blocks for natural product synthesis and pharmaceutical intermediates.
Application
Methyl 3-hydroxy-3-methylbutanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to tertiary alcohol motifs and isoprenoid-derived scaffolds. Its hydroxyl group facilitates straightforward functionalization via esterification or protection, while the methyl-substituted carbon center supports stereoselective transformations. The compound exhibits excellent bench stability and compatibility with standard purification protocols, making it well-suited for multi-step synthesis workflows in medicinal chemistry and natural product derivatization.
Synthesis
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Route1
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79-20-9 -
67-64-1
- ~10%
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In-stock
6149-45-7
References
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Citron, Christian A.; Rabe, Patrick; Dickschat, Jeroen S. Journal of Natural Products, 2012 , vol. 75, # 10 p. 1765 - 1776
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Route2
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In-stock
625-08-1 -
101752-05-0
- ~%
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In-stock
6149-45-7
References
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MITSUBISHI RAYON CO., LTD Patent: EP467721 A1, 1992 ;
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Route3
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In-stock
625-08-1
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74-88-4
- ~%
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In-stock
6149-45-7
References
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MERCK and CO., INC. Patent: WO2007/108968 A2, 2007 ; Location in patent: Page/Page column 40 ;
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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 : H227-H315-H319-H335
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Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.53
- LogP 0.3204
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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