Lot numbers can be found on the outside label of a product:
((Prop-2-yn-1-yloxy)methyl)benzene
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CAS No. 4039-82-1
- Cat. No. CS-W016355
- Purity≥96%
- MDL No.MFCD00483987
*For research and further manufacturing use only, not for direct human use.
Structure of 4039-82-1
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General Information
- CAS No. 4039-82-1
- Cat. No. CS-W016355
- Purity ≥96%
- MDL No. MFCD00483987
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O
- Molecular Weight 146.19
- Synonym(s) Benzyl propargyl ether
- SMILES C#CCOCC1=CC=CC=C1
Description
This propargylic ether features a reactive terminal alkyne group flanked by a benzyloxy linker, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) under mild conditions. The robust benzyl protecting group ensures stability during storage and handling, while the pendant alkyne facilitates modular conjugation in bioorthogonal labeling and polymer functionalization workflows.
Application
((Prop-2-yn-1-yloxy)methyl)benzene serves as a versatile building block in synthetic organic chemistry, enabling efficient introduction of propargylic ether functionalities. Its terminal alkyne group facilitates copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the benzylic ether linkage offers stability and compatibility with standard reaction conditions. This compound functions effectively in multistep synthesis, particularly for constructing heterocyclic scaffolds and functionalized intermediates used in medicinal chemistry and materials science applications.
Synthesis
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Route1
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100-39-0 -
107-19-7
- ~99%
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In-stock
4039-82-1
References
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Farran, Daniel; Slawin, Alexandra M. Z.; Kirsch, Peer; O'Hagan, David Journal of Organic Chemistry, 2009 , vol. 74, # 18 p. 7168 - 7171
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Route2
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106-96-7
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In-stock
100-51-6 - ~98%
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In-stock
4039-82-1
References
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Boger, Dale L.; Palanki, Moorthy S.S. Journal of the American Chemical Society, 1992 , vol. 114, # 24 p. 9318 - 9327
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Route3
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250234-77-6
- ~55%
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In-stock
4039-82-1
References
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Maleczka Jr., Robert E.; Geng, Feng Organic Letters, 1999 , vol. 1, # 7 p. 1111 - 1113
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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 9.23
- LogP 1.8364
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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