Lot numbers can be found on the outside label of a product:
3-Acetylcoumarin
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CAS No. 3949-36-8
- Cat. No. CS-0149257
- Purity≥95%
- MDL No.MFCD00006853
*For research and further manufacturing use only, not for direct human use.
Structure of 3949-36-8
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General Information
- CAS No. 3949-36-8
- Cat. No. CS-0149257
- Purity ≥95%
- MDL No. MFCD00006853
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₈O₃
- Molecular Weight 188.18
- Synonym(s) None
- SMILES O=C1C(C(C)=O)=CC2=CC=CC=C2O1
Description
3-Acetylcoumarin features a fused bicyclic core with a strategically positioned acetyl group at the 3-position, enhancing electrophilic reactivity while maintaining bench stability. This substitution pattern enables direct incorporation into conjugated systems, facilitating synthesis of fluorescent probes and photoresponsive materials. The ketone moiety serves as a key handle for nucleophilic addition or condensation reactions under mild conditions.
Synthesis
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Route1
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In-stock
141-97-9 -
90-02-8 - ~97%
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In-stock
3949-36-8
References
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Frolova, Liliya V.; Malik, Indranil; Uglinskii, Pavel Y.; Rogelj, Snezna; Kornienko, Alexander; Magedov, Igor V. Tetrahedron Letters, 2011 , vol. 52, # 49 p. 6643 - 6645
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Route2
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90-02-8
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In-stock
105-45-3 - ~90%
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In-stock
3949-36-8
References
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You, Xinwen; Yu, Hua; Wang, Mangang; Wu, Jun; Shang, Zhicai Letters in Organic Chemistry, 2012 , vol. 9, # 1 p. 19 - 23
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References
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Sugino, Teizo; Tanaka, Koichi Chemistry Letters, 2001 , # 2 p. 110 - 111
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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 : H315-H319-H335
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Precautionary Statements : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 47.28
- LogP 1.9956
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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