Methyl 3,5-dibromobenzoate

Name: Methyl 3,5-dibromobenzoate
Brand: ChemScene
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CAS No. 51329-15-8
Cat. No. CS-W001088
Purity≥98%
MDL No.MFCD00082648

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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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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Structure of 51329-15-8

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General Information

CAS No. 51329-15-8
Cat. No. CS-W001088
Purity ≥98%
MDL No. MFCD00082648
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆Br₂O₂
Molecular Weight 293.94
Synonym(s) 3,5-Dibromobenzoic Acid Methyl Ester
SMILES COC(=O)c1cc(Br)cc(c1)Br

Description

Methyl 3,5-dibromobenzoate features two bromine substituents at the meta positions relative to the ester group, creating a highly electron-deficient aromatic core. This configuration enhances reactivity in cross-coupling processes and provides robust stability under standard conditions. The compound serves as a key building block for synthesizing brominated heterocycles and functionalized aryl systems in medicinal chemistry and materials science.

Application

Methyl 3,5-dibromobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its two ortho-bromine substituents. The methyl ester group provides compatibility with standard hydrolysis and derivatization protocols. Its bench-stable nature and high functional group tolerance facilitate efficient construction of substituted aromatic scaffolds for pharmaceutical intermediates and materials science applications.

Synthesis

Route1
- 134-20-3
- ~64%
- In-stock
  
  51329-15-8
References
- Roy, Priyabrata; Jana, Debabrata; Ghorai, Binay K. Bulletin of the Chemical Society of Japan, 2010 , vol. 83, # 10 p. 1269 - 1271
Route2
- In-stock
  
  618-58-6
- 74-88-4
- ~95%
- In-stock
  
  51329-15-8
References
- Ling; Kang; Neoh; Huang, Wei Macromolecules, 2003 , vol. 36, # 19 p. 6995 - 7003
Route3
- In-stock
  
  606-00-8
- ~%
- In-stock
  
  51329-15-8
References
- Jana, Debabrata; Ghorai, Binay K. Letters in Organic Chemistry, 2010 , vol. 7, # 3 p. 203 - 207

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

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.9982
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Material Science Polymer Materials Dendrimer Building Block

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Polymer/Macromolecule Reagents Dendrimer Building Blocks

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Methyl 3,5-dibromobenzoate

CAS No. 51329-15-8

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