5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one

Name: 5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one
Brand: ChemScene
Availability: InStock
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CAS No. 176244-21-6
Cat. No. CS-0139399
Molecule weight170.12
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one|CS-0139399

Structure of 176244-21-6

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General Information

CAS No. 176244-21-6
Cat. No. CS-0139399
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄F₂N₂O
Molecular Weight 170.12
Synonym(s) 5,6-Difluoro-1H-benzo[d]imidazol-2(3H)-one
SMILES O=C1NC2=CC(F)=C(F)C=C2N1

Description

5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one features a fluorinated benzodiazole core with enhanced electron-withdrawing character, enabling robust coupling in late-stage functionalization. This bench-stable heterocycle integrates efficiently into complex molecular architectures, offering improved metabolic stability and selectivity in medicinal chemistry applications.

Application

5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to fluorinated benzodiazepine scaffolds. Its difluoro substitution enhances metabolic stability and modulates electronic properties, while the dihydro-1H-1,3-benzodiazol-2-one core facilitates coupling reactions and functional group interconversions under standard conditions. The compound exhibits good bench stability and compatibility with common purification methods, supporting scalable synthesis workflows.

Synthesis

Route1
- In-stock
  
  76179-40-3
- 530-62-1
- ~88%
- In-stock
  
  176244-21-6
References
- Schwiebert, Kathryn E.; Chin, Donovan N.; MacDonald, John C.; Whitesides, George M. Journal of the American Chemical Society, 1996 , vol. 118, # 17 p. 4018 - 4029

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
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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Computational Chemistry Data

TPSA 48.65
LogP 1.1344
H_Acceptors 1
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzimidazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5,6-Difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one

CAS No. 176244-21-6

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