tert-Butyl 2,4-difluorobenzoate

Name: tert-Butyl 2,4-difluorobenzoate
Brand: ChemScene
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CAS No. 500353-15-1
Cat. No. CS-0154851
Purity≥98%
MDL No.MFCD19388670

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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tert-Butyl 2,4-difluorobenzoate|CS-0154851

Structure of 500353-15-1

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Description

tert-Butyl 2,4-difluorobenzoate features a sterically hindered tert-butyl ester group paired with electron-deficient fluorine substituents at the 2 and 4 positions of the aromatic ring. This combination enhances stability under standard conditions while enabling selective derivatization in synthetic sequences. The molecule integrates readily into complex scaffolds requiring controlled reactivity and resistance to premature hydrolysis.

Application

tert-Butyl 2,4-difluorobenzoate serves as a stable, bench-ready building block for medicinal chemistry and process development. The ortho-fluoro substituents enhance electrophilic reactivity and enable selective functionalization via palladium-catalyzed cross-coupling. Its tert-butyl ester group offers excellent stability and facilitates straightforward deprotection under mild acidic conditions, enabling efficient access to the corresponding carboxylic acid.

General Information

CAS No. 500353-15-1
Cat. No. CS-0154851
Purity ≥98%
MDL No. MFCD19388670
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂F₂O₂
Molecular Weight 214.21
Synonym(s) 2,4-Difluoro-benzoic acid tert-butyl ester
SMILES CC(C)(C)OC(=O)C1=C(C=C(C=C1)F)F

Computational Chemistry Data

TPSA 26.3
LogP 2.9201
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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tert-Butyl 2,4-difluorobenzoate

CAS No. 500353-15-1

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