Lot numbers can be found on the outside label of a product:
1-(2-Amino-4-fluorophenyl)ethanone
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CAS No. 159305-15-4
- Cat. No. CS-0155140
- Purity≥98%
- MDL No.MFCD20621031
*For research and further manufacturing use only, not for direct human use.
Structure of 159305-15-4
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General Information
- CAS No. 159305-15-4
- Cat. No. CS-0155140
- Purity ≥98%
- MDL No. MFCD20621031
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈FNO
- Molecular Weight 153.15
- Synonym(s) Ethanone, 1-(2-amino-4-fluorophenyl)- (9CI)
- SMILES CC(=O)C1=C(C=C(C=C1)F)N
Description
1-(2-Amino-4-fluorophenyl)ethanone features a fluorinated aromatic ring paired with an amino substituent, enabling enhanced electronic modulation and hydrogen-bonding capacity. This scaffold integrates readily into bioactive molecule design, particularly in kinase inhibitor and CNS-targeted pharmaceuticals. The acetyl group provides a handle for derivatization under mild conditions.
Application
1-(2-Amino-4-fluorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated aryl ketones and heterocyclic scaffolds. Its amino and fluoro substituents offer orthogonal reactivity for downstream functionalization, while the acetyl group facilitates nucleophilic addition and electrophilic substitution. The compound exhibits good bench stability and compatibility with standard purification techniques, making it suitable for scalable synthesis and process development workflows.
Synthesis
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Route1
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372-19-0 - ~60%
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In-stock
159305-15-4
References
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Merck, Sharp and Dohme Limited Patent: US5780475 A1, 1998 ;
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Route2
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75-16-1
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In-stock
80517-22-2 - ~55%
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In-stock
159305-15-4
References
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H. LUNDBECK A/S; KEHLER, Jan; KILBURN, John Paul; NIELSEN, Jacob; PÜSCHL, Ask; LANGGÅRD, Morten; JESSING, Mikkel; MARIGO, Mauro Patent: WO2013/50527 A1, 2013 ; Location in patent: Page/Page column 44; 45 ;
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Route3
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In-stock
446-08-2 -
917-54-4
- ~42%
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In-stock
159305-15-4
References
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Mangas-Sanchez, Juan; Busto, Eduardo; Gotor-Fernandez, Vicente; Gotor, Vicente Organic Letters, 2012 , vol. 14, # 6 p. 1444 - 1447
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.09
- LogP 1.6105
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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