(S)-5,7-Difluorochroman-4-ol

Name: (S)-5,7-Difluorochroman-4-ol
Brand: ChemScene
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CAS No. 942195-91-7
Cat. No. CS-0100733
Purity≥98%
MDL No.None

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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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General Information

CAS No. 942195-91-7
Cat. No. CS-0100733
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈F₂O₂
Molecular Weight 186.16
Synonym(s) (4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol
SMILES O[C@H]1CCOC2=CC(F)=CC(F)=C12

Description

(S)-5,7-Difluorochroman-4-ol features a chiral chroman scaffold with strategically positioned fluorine atoms at the 5 and 7 positions, imparting enhanced metabolic stability and modulated electronic properties. This bench-stable phenolic compound integrates readily into medicinal chemistry programs targeting CNS therapeutics and kinase inhibitors, where its electron-deficient aromatic ring supports favorable binding interactions.

Application

(S)-5,7-Difluorochroman-4-ol serves as a valuable chiral building block in the synthesis of fluorinated heterocycles and bioactive molecules. Its ortho-difluoro substitution pattern enhances metabolic stability and modulates electronic properties, while the phenolic hydroxyl group enables facile derivatization. The stereochemically defined chroman core facilitates predictable reactivity in coupling and cyclization processes, making it well-suited for medicinal chemistry campaigns targeting CNS and oncology therapeutics.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 29.46
LogP 1.7807
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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(S)-5,7-Difluorochroman-4-ol

CAS No. 942195-91-7

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