Lot numbers can be found on the outside label of a product:
Ethyl pent-4-ynoate
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CAS No. 63093-41-4
- Cat. No. CS-0044527
- Purity≥96%
- MDL No.MFCD18976214
*For research and further manufacturing use only, not for direct human use.
Structure of 63093-41-4
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General Information
- CAS No. 63093-41-4
- Cat. No. CS-0044527
- Purity ≥96%
- MDL No. MFCD18976214
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₀O₂
- Molecular Weight 126.16
- Synonym(s) None
- SMILES O=C(OCC)CCC#C
Description
Ethyl pent-4-ynoate is a linear alkyne-containing ester featuring a terminal triple bond flanked by a carbonyl group. This configuration enables direct participation in copper-catalyzed coupling reactions, including Sonogashira and Glaser-type processes. The molecule exhibits high stability under standard conditions and integrates readily into complex molecular architectures requiring precise alkyne handles.
Application
Ethyl pent-4-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated enynes and heterocyclic systems via [2+2] cycloadditions and transition-metal-catalyzed couplings. Its terminal alkyne functionality exhibits excellent stability under standard bench conditions and tolerates a range of functional groups, facilitating straightforward purification and integration into multi-step syntheses.
Synthesis
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Route1
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64-17-5 -
In-stock
6089-09-4 - ~93%
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In-stock
63093-41-4
References
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Tellitu, Imanol; Serna, Sonia; Herrero, M. Teresa; Moreno, Isabel; Dominguez, Esther; SanMartin, Raul Journal of Organic Chemistry, 2007 , vol. 72, # 4 p. 1526 - 1529
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Route2
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491862-29-4
- ~65%
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In-stock
63093-41-4
References
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Chiou, Wen-Hua; Lin, Yi-Huei; Chen, Guei-Tang; Gao, Yu-Kai; Tseng, Yu-Che; Kao, Chien-Lun; Tsai, Jui-Chi Chemical Communications, 2011 , vol. 47, # 12 p. 3562 - 3564
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Route3
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In-stock
17920-23-9 - ~%
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In-stock
63093-41-4
References
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Tokuda, Masao; Fujita, Hirotake; Nitta, Makoto; Suginome, Hiroshi Heterocycles, 1996 , vol. 42, # 1 p. 385 - 395
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS02,GHS07
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Signal Word : Danger
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UN#: 3272
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Class : 3
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Packing Group : Ⅱ
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Hazard Statements : H225-H302-H315-H319-H335
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Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 0.9629
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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