Lot numbers can be found on the outside label of a product:
3-(4-Methoxyphenyl)-3-oxopropanenitrile
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CAS No. 3672-47-7
- Cat. No. CS-W017454
- Purity≥98%
- MDL No.MFCD00067889
*For research and further manufacturing use only, not for direct human use.
Structure of 3672-47-7
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General Information
- CAS No. 3672-47-7
- Cat. No. CS-W017454
- Purity ≥98%
- MDL No. MFCD00067889
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉NO₂
- Molecular Weight 175.19
- Synonym(s) 4-Methoxybenzoylacetonitrile
- SMILES COC1=CC=C(C=C1)C(=O)CC#N
Description
This oxonitrile features a para-methoxyphenyl group that enhances solubility and stabilizes reactive intermediates. The conjugated enone-nitrile system enables efficient Michael additions and heterocycle formation under mild conditions, making it valuable in synthetic routes to bioactive scaffolds.
Application
3-(4-Methoxyphenyl)-3-oxopropanenitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds via cyclocondensation reactions. Its conjugated enone-nitrile system exhibits high reactivity in Michael additions and Knoevenagel condensations, while the methoxy group enhances solubility and modulates electronic effects. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses requiring functional group tolerance and predictable reactivity.
Synthesis
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Route1
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100-07-2 -
372-09-8
- ~79%
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In-stock
3672-47-7
References
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Nowill, Randall W.; Patel, Trisha J.; Beasley, David L.; Alvarez, Jose A.; Jackson III, Elizah; Hizer, Todd J.; Ghiviriga, Ion; Mateer, Scott C.; Feske, Brent D. Tetrahedron Letters, 2011 , vol. 52, # 19 p. 2440 - 2442
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Route2
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In-stock
94-30-4 -
75-05-8
- ~73%
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In-stock
3672-47-7
References
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Gao, Yang; Wang, Hui; Xu, Minghua; Lian, Hongzhen; Pan, Yi; Shi, Yaozeng Organic Preparations and Procedures International, 2001 , vol. 33, # 4 p. 351 - 356
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Route3
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121-98-2 -
75-05-8
- ~82%
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In-stock
3672-47-7
References
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TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2005/111046 A1, 2005 ; Location in patent: Page/Page column 41-42 ;
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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 50.09
- LogP 1.79158
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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