Lot numbers can be found on the outside label of a product:
Desoxyanisoin
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CAS No. 120-44-5
- Cat. No. CS-0150396
- Purity≥98%
- MDL No.MFCD00008406
*For research and further manufacturing use only, not for direct human use.
Structure of 120-44-5
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General Information
- CAS No. 120-44-5
- Cat. No. CS-0150396
- Purity ≥98%
- MDL No. MFCD00008406
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₆O₃
- Molecular Weight 256.30
- Synonym(s) None
- SMILES COC1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)OC
Description
Desoxyanisoin features a phenolic ether scaffold with a ketone functionality, offering enhanced stability and solubility in organic solvents. This structural motif enables efficient integration into complex synthesis pathways, particularly in natural product derivatization and medicinal chemistry applications.
Application
Desoxyanisoin serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of oxygenated heterocyclic scaffolds. Its stable aryl ether functionality and well-defined reactivity profile facilitate selective transformations under standard conditions. The compound functions as a key intermediate in the synthesis of complex phenolic derivatives and bioactive molecules, offering excellent bench stability and compatibility with common protecting group strategies.
Synthesis
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Route1
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In-stock
104-01-8 -
100-66-3 - ~86%
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In-stock
120-44-5
References
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BIOENERGENIX Patent: US2012/225863 A1, 2012 ; Location in patent: Page/Page column 40-41 ; US 20120225863 A1
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Route2
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In-stock
119-52-8 - ~93%
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In-stock
120-44-5
References
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Krepski, Larry R.; Heilmann, Steven M.; Rasmussen, Jerald K.; Tumey, Michael L.; Smith, Howell K. Synthetic Communications, 1986 , vol. 16, # 4 p. 377 - 386
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Route3
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100-66-3
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In-stock
4693-91-8 - ~71%
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In-stock
120-44-5
References
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Schaefer, Anja; Wellner, Anja; Strauss, Martin; Schaefer, Andreas; Wolber, Gerhard; Gust, Ronald Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 9607 - 9618
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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
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Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 35.53
- LogP 3.1292
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 5
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