(S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride

Name: (S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride
Brand: ChemScene
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CAS No. 2061996-63-0
Cat. No. CS-0137044
Purity≥96%
MDL No.MFCD24430443

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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(S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride|CS-0137044

Structure of 2061996-63-0

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General Information

CAS No. 2061996-63-0
Cat. No. CS-0137044
Purity ≥96%
MDL No. MFCD24430443
Storage Store at room temperature, keep dry and cool
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀ClF₂NO₂
Molecular Weight None
Synonym(s) (S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethanamine hydrochloride
SMILES C[C@H](N)C1=C2OC(F)(F)OC2=CC=C1.[H]Cl

Description

(S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride features a chiral benzylic amine scaffold bearing a 2,2-difluorobenzodioxole moiety, delivering enhanced metabolic stability and favorable lipophilicity. This bench-stable salt form facilitates direct incorporation into medicinal chemistry campaigns targeting CNS-penetrant therapeutics.

Application

(S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride serves as a chiral building block for bioactive molecule synthesis, enabling efficient access to fluorinated heterocyclic scaffolds. Its bench-stable hydrochloride salt form facilitates handling and purification, while the ortho-difluorophenyl moiety provides enhanced metabolic stability and favorable pharmacokinetic properties. Functions effectively in amine coupling reactions and supports diversification via standard functional group transformations.

Safety Information

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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 44.48
LogP 2.4496
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic heterocycle compounds Benzodioxolane compounds

Key Words

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(S)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)ethan-1-amine hydrochloride

CAS No. 2061996-63-0

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