Methyl 2-(4-bromo-2-chlorophenyl)acetate

Name: Methyl 2-(4-bromo-2-chlorophenyl)acetate
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CAS No. 849934-94-7
Cat. No. CS-0046928
Purity≥97%
MDL No.None

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Methyl 2-(4-bromo-2-chlorophenyl)acetate|CS-0046928

Structure of 849934-94-7

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General Information

CAS No. 849934-94-7
Cat. No. CS-0046928
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrClO₂
Molecular Weight 263.52
Synonym(s) None
SMILES O=C(CC1=CC=C(C=C1Cl)Br)OC

Description

Methyl 2-(4-bromo-2-chlorophenyl)acetate features a sterically hindered aryl core with complementary halogen substituents, enabling selective cross-coupling reactions. The ester functionality provides enhanced solubility and stability under standard conditions, facilitating efficient integration into complex synthetic sequences.

Application

Methyl 2-(4-bromo-2-chlorophenyl)acetate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of biaryl scaffolds via palladium-catalyzed cross-coupling reactions. Its orthogonal halogenation pattern supports sequential functionalization, while the ester group facilitates downstream transformations including hydrolysis, reduction, or amide formation. Bench-stable and readily purified by column chromatography, it functions reliably in multi-step syntheses requiring precise regiocontrol and functional group compatibility.

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
Precautionary Statements : P264-P270-P330

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Computational Chemistry Data

TPSA 26.3
LogP 2.818
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-(4-bromo-2-chlorophenyl)acetate

CAS No. 849934-94-7

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