Methyl 3-bromo-1-naphthoate

Name: Methyl 3-bromo-1-naphthoate
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CAS No. 16650-63-8
Cat. No. CS-0074270
Purity≥97%
MDL No.None

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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+
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General Information

CAS No. 16650-63-8
Cat. No. CS-0074270
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₉BrO₂
Molecular Weight 265.10
Synonym(s) Methyl 3-bromonaphthalene-1-carboxylate
SMILES O=C(OC)C1=CC(Br)=CC2=CC=CC=C12

Description

Methyl 3-bromo-1-naphthoate is a brominated naphthoate ester featuring a reactive halogen at the 3-position of the naphthalene core. This electrophilic site enables direct functionalization in cross-coupling reactions, particularly Suzuki-Miyaura and Stille processes. The methyl ester group provides synthetic versatility for further derivatization. Bench-stable and moisture-tolerant under standard conditions, it integrates seamlessly into complex molecule assembly workflows.

Application

Methyl 3-bromo-1-naphthoate serves as a versatile building block for the synthesis of naphthalene-based pharmaceutical intermediates and functional materials. The bromine at the 3-position enables palladium-catalyzed cross-coupling reactions, while the ester group offers compatibility with standard transformations such as hydrolysis, reduction, or nucleophilic substitution. Its bench-stable nature and predictable reactivity facilitate efficient integration into multi-step synthetic sequences.

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 26.3
LogP 3.3889
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Naphthalene compounds

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Methyl 3-bromo-1-naphthoate

CAS No. 16650-63-8

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