Lot numbers can be found on the outside label of a product:
Methyl non-2-ynoate, 99%
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CAS No. 111-80-8
- Cat. No. CS-1269052
- Purity≥99%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 111-80-8
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General Information
- CAS No. 111-80-8
- Cat. No. CS-1269052
- Purity ≥99%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₆O₂
- Molecular Weight 168.23
- Synonym(s) None
- SMILES CCCCCCC#CC(OC)=O
Description
Methyl non-2-ynoate serves as a valuable building block in synthetic organic chemistry, featuring a terminal alkyne moiety that enables efficient coupling reactions. This bench-stable reagent integrates readily into click chemistry and transition-metal-catalyzed transformations, offering high functional group tolerance and predictable reactivity under standard conditions.
Application
Methyl non-2-ynoate serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted alkynes and conjugated systems. Its terminal alkyne functionality exhibits high stability under standard bench conditions and demonstrates excellent compatibility with palladium- and copper-based catalytic protocols. The ester group facilitates straightforward derivatization and purification, making it well-suited for synthetic workflows in medicinal chemistry and materials science.
Synthesis
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Route1
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629-05-0 -
79-22-1
- ~10%
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In-stock
111-80-8
References
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Trost, Barry M.; Taft, Benjamin R.; Masters, James T.; Lumb, Jean-Philip Journal of the American Chemical Society, 2011 , vol. 133, # 22 p. 8502 - 8505
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Route2
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68113-72-4
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79-22-1
- ~70%
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In-stock
111-80-8
References
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Negishi, Ei-ichi; Bagheri, Vahid; Chatterjee, Sugata; Luo, Fen-Tair; Miller, Joseph A.; Stoll, A. Timothy Tetrahedron Letters, 1983 , vol. 24, # 47 p. 5181 - 5184
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Route3
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1846-70-4 -
74-88-4
- ~%
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In-stock
111-80-8
References
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European Journal of Organic Chemistry, , # 13 p. 2507 - 2511
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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
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Precautionary Statements : P264-P270-P301+P312-P501
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Quality Control
Computational Chemistry Data
- TPSA N/A
- LogP N/A
- H_Acceptors N/A
- H_Donors N/A
- Rotatable_Bonds N/A
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Key Words
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