Lot numbers can be found on the outside label of a product:
Methyl 3-oxohept-6-ynoate
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CAS No. 100330-50-5
- Cat. No. CS-0038476
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 100330-50-5
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General Information
- CAS No. 100330-50-5
- Cat. No. CS-0038476
- Purity ≥97%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀O₃
- Molecular Weight 154.16
- Synonym(s) Methyl 3-Oxo-6-heptynoate
- SMILES C#CCCC(=O)CC(=O)OC
Description
Methyl 3-oxohept-6-ynoate features a conjugated enone system flanked by a terminal alkyne, enabling efficient coupling in transition-metal-catalyzed transformations. This electrophilic ketone integrates readily into complex molecular architectures under mild conditions, offering high functional group tolerance and stability during synthesis workflows.
Application
Methyl 3-oxohept-6-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized enynes and heterocyclic scaffolds. Its α,β-unsaturated ketone moiety facilitates conjugate additions, while the terminal alkyne supports reliable copper-catalyzed coupling reactions. The molecule exhibits good bench stability and compatibility with common protecting groups, making it well-suited for multi-step synthesis and process-scale applications.
Synthesis
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Route1
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In-stock
6089-09-4 -
38330-80-2 - ~80%
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In-stock
100330-50-5
References
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Synthesis (Germany), , vol. 44, # 13 art. no. SS-2012-T0265-OP, p. 2005 - 2012
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Route2
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In-stock
105-45-3 -
106-96-7
- ~%
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In-stock
100330-50-5
References
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Journal of Organic Chemistry, , vol. 60, # 2 p. 337 - 344
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Route3
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In-stock
6089-09-4
- ~%
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In-stock
100330-50-5
References
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Journal of Organic Chemistry, , vol. 62, # 16 p. 5327 - 5332
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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 43.37
- LogP 0.532
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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