2,2-Difluorobenzo[d][1,3]dioxol-5-ol

Name: 2,2-Difluorobenzo[d][1,3]dioxol-5-ol
Brand: ChemScene
Availability: InStock
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CAS No. 1211539-82-0
Cat. No. CS-0101644
Molecule weight174.10
Purity≥97%
MDL No.MFCD22414499

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2,2-Difluorobenzo[d][1,3]dioxol-5-ol|CS-0101644

Structure of 1211539-82-0

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General Information

CAS No. 1211539-82-0
Cat. No. CS-0101644
Purity ≥97%
MDL No. MFCD22414499
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄F₂O₃
Molecular Weight 174.10
Synonym(s) 2,2-Difluorobenzodioxol-5-ol
SMILES OC1=CC=C(OC(F)(F)O2)C2=C1

Description

This difluorinated benzodioxole integrates a phenolic hydroxyl group, offering enhanced solubility and stability in aqueous media. The electron-withdrawing fluorine substituents modulate reactivity, enabling selective functionalization in synthetic pathways. Its rigid aromatic core facilitates efficient coupling reactions under standard conditions.

Application

2,2-Difluorobenzo[d][1,3]dioxol-5-ol serves as a valuable fluorinated building block in medicinal chemistry, enabling the introduction of a rigid, electron-deficient aromatic core with enhanced metabolic stability. The difluoro substitution at the 2-position enhances lipophilicity and modulates electronic properties, while the phenolic hydroxyl group facilitates downstream functionalization via coupling reactions or derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for constructing complex heterocyclic scaffolds and drug-like molecules.

Synthesis

Route1
- In-stock
  
  33070-32-5
- ~%
- In-stock
  
  1211539-82-0
References
- DAINIPPON SUMITOMO PHARMA CO., LTD. Patent: US2012/225876 A1, 2012 ; Location in patent: Page/Page column 58 ;

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 38.69
LogP 1.7137
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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2,2-Difluorobenzo[d][1,3]dioxol-5-ol

CAS No. 1211539-82-0

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