Dimethyl 4-bromophthalate

Name: Dimethyl 4-bromophthalate
Brand: ChemScene
Availability: InStock
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CAS No. 87639-57-4
Cat. No. CS-W005771
Purity≥98%
MDL No.MFCD07772010

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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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General Information

CAS No. 87639-57-4
Cat. No. CS-W005771
Purity ≥98%
MDL No. MFCD07772010
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrO₄
Molecular Weight 273.08
Synonym(s) 1,2-Benzenedicarboxylic acid, 4-broMo-, 1,2-diMethyl ester
SMILES O=C(OC)C1=CC=C(Br)C=C1C(OC)=O

Description

Dimethyl 4-bromophthalate features a brominated aromatic core with two ester functionalities, enabling direct incorporation into cross-coupling and functionalization workflows. The para-bromine serves as a reactive handle for palladium-catalyzed transformations, while the methyl esters remain stable under standard conditions. This combination delivers a bench-stable building block for synthesizing complex phthalate derivatives in medicinal chemistry and materials science.

Application

Dimethyl 4-bromophthalate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted phthalic acid derivatives and heterocyclic scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the ester groups offer orthogonal functionality for further derivatization. The compound exhibits excellent bench stability and ease of purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  86-90-8
- ~68%
- In-stock
  
  87639-57-4
References
- Eisai Co., Ltd. Patent: US2002/19531 A1, 2002 ; US 20020019531 A1
Route2
- 67-56-1
- In-stock
  
  86-90-8
- ~%
- In-stock
  
  87639-57-4
References
- Journal fuer Praktische Chemie (Leipzig), , vol. <2> 126, p. 69,72

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 52.6
LogP 2.0223
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Dimethyl 4-bromophthalate

CAS No. 87639-57-4

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