Methyl 4-amino-3-bromo-5-methylbenzoate

Name: Methyl 4-amino-3-bromo-5-methylbenzoate
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CAS No. 900019-52-5
Cat. No. CS-0434977
Molecule weight244.09
Purity≥97%
MDL No.MFCD07021337

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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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Methyl 4-amino-3-bromo-5-methylbenzoate|CS-0434977

Structure of 900019-52-5

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General Information

CAS No. 900019-52-5
Cat. No. CS-0434977
Purity ≥97%
MDL No. MFCD07021337
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀BrNO₂
Molecular Weight 244.09
Synonym(s) 4-Amino-3-bromo-5-methylbenzoic acid methyl ester
SMILES O=C(OC)C1=CC(C)=C(N)C(Br)=C1

Description

Methyl 4-amino-3-bromo-5-methylbenzoate features a brominated aromatic core with complementary amino and methyl substituents, enabling direct functionalization in cross-coupling and electrophilic substitution reactions. The methoxy group enhances solubility in organic media, while the para-amino functionality offers a reactive handle for downstream derivatization. This bench-stable compound serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals.

Application

Methyl 4-amino-3-bromo-5-methylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. The molecule combines an electron-rich amine, a bromo handle for cross-coupling reactions, and a methyl group at the meta position, offering orthogonal functionalization potential. Its bench-stable nature and compatibility with standard coupling protocols facilitate reliable downstream transformations in multi-step syntheses.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 52.32
LogP 2.12632
H_Acceptors 3
H_Donors 1
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 4-amino-3-bromo-5-methylbenzoate

CAS No. 900019-52-5

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