Lot numbers can be found on the outside label of a product:
N-(3,4-Difluorophenyl)acetamide
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CAS No. 458-11-7
- Cat. No. CS-0199429
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 458-11-7
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General Information
- CAS No. 458-11-7
- Cat. No. CS-0199429
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇F₂NO
- Molecular Weight 171.14
- Synonym(s) 3',4'-DIFLUOROACETANILIDE
- SMILES CC(NC1=CC(F)=C(F)C=C1)=O
Description
N-(3,4-Difluorophenyl)acetamide features a difluorinated aromatic ring that imparts enhanced metabolic stability and lipophilicity, enabling efficient integration into bioactive scaffolds. The amide linkage provides structural rigidity and hydrogen-bonding capacity, supporting target engagement in medicinal chemistry applications.
Application
N-(3,4-Difluorophenyl)acetamide serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive scaffolds through standard amide coupling and electrophilic substitution reactions. Its difluorophenyl motif enhances metabolic stability and modulates lipophilicity, while the acetamide group offers reliable functionalization and purification advantages. Bench-stable and compatible with diverse reaction conditions, it functions effectively in multi-step synthesis workflows.
Synthesis
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Route1
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108-24-7 -
3863-11-4 - ~94%
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In-stock
458-11-7
References
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El-Abadelah, Mustafa M.; Nazer, Musa Z.; El-Abadla, Naser S.; Meier, Herbert Heterocycles, 1995 , vol. 41, # 10 p. 2203 - 2220
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Route2
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3863-11-4
- ~%
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In-stock
458-11-7
References
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Bigg, Dennis; Lavergne, Olivier; Pla Rodas, Francesc; Pommier, Jacques; Ulibarri, Gerard; Harnett, Jerry; Rolland, Alain; Liberatore, Anne-Marie; Lanco, Christophe; Cazaux, Jean-Bernard; Le Breton, Christine; Manginot, Eric Patent: US2003/4150 A1, 2003 ;
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Route3
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141-32-2
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1182601-99-5
- ~13%
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1182602-21-6
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In-stock
458-11-7
References
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Rauf, Waqar; Thompson, Amber L.; Brown, John M. Chemical Communications, 2009 , # 26 p. 3874 - 3876
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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-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.1
- LogP 1.9232
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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