Methyl 5-bromo-3-chloro-2-methylbenzoate

Name: Methyl 5-bromo-3-chloro-2-methylbenzoate
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CAS No. 1522778-35-3
Cat. No. CS-0145789
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 5-bromo-3-chloro-2-methylbenzoate|CS-0145789

Structure of 1522778-35-3

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General Information

CAS No. 1522778-35-3
Cat. No. CS-0145789
Purity ≥98%
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(OC)C1=CC(Br)=CC(Cl)=C1C

Description

Methyl 5-bromo-3-chloro-2-methylbenzoate features a sterically hindered aromatic core with complementary halogenation at the 5-bromo and 3-chloro positions, enabling selective cross-coupling reactions. The methyl ester group enhances solubility in organic solvents and facilitates downstream derivatization. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and functionalized aryl scaffolds.

Application

Methyl 5-bromo-3-chloro-2-methylbenzoate serves as a versatile building block for the synthesis of substituted aromatic scaffolds, enabling sequential functionalization via palladium-catalyzed cross-coupling reactions. The ortho-methyl group enhances regioselectivity in electrophilic substitution, while the bromo and chloro substituents provide complementary sites for selective transformations. Its bench-stable nature and compatibility with standard purification protocols make it ideal for iterative synthesis in medicinal chemistry and materials science applications.

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-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 3.19752
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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 5-bromo-3-chloro-2-methylbenzoate

CAS No. 1522778-35-3

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