Methyl 5-bromo-2-formylbenzoate

Name: Methyl 5-bromo-2-formylbenzoate
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CAS No. 1016163-89-5
Cat. No. CS-0103320
Purity≥96%
MDL No.MFCD16036575

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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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Methyl 5-bromo-2-formylbenzoate|CS-0103320

Structure of 1016163-89-5

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Description

Methyl 5-bromo-2-formylbenzoate features a formyl group at the ortho position relative to the ester, creating a highly reactive electrophilic site. The para-bromo substitution enhances electron-withdrawing character, stabilizing adjacent intermediates in cross-coupling reactions. This compound integrates readily into complex molecular architectures under mild conditions, offering precise control in synthetic sequences requiring directed functionalization.

Application

Methyl 5-bromo-2-formylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the formyl and bromo positions. Its ortho-formyl group facilitates nucleophilic addition and condensation reactions, while the bromine atom supports palladium-catalyzed cross-couplings. The methyl ester is compatible with standard reduction and derivatization protocols, offering a stable, bench-ready platform for constructing complex heterocycles and pharmaceutical intermediates.

General Information

CAS No. 1016163-89-5
Cat. No. CS-0103320
Purity ≥96%
MDL No. MFCD16036575
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇BrO₃
Molecular Weight 243.05
Synonym(s) None
SMILES O=C(C1=CC(Br)=CC=C1C=O)OC

Computational Chemistry Data

TPSA 43.37
LogP 2.0482
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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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-2-formylbenzoate

CAS No. 1016163-89-5

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