Dimethyl 3-bromophthalate

Name: Dimethyl 3-bromophthalate
Brand: ChemScene
Availability: InStock
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CAS No. 58749-33-0
Cat. No. CS-0052748
Purity≥96%
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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Structure of 58749-33-0

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General Information

CAS No. 58749-33-0
Cat. No. CS-0052748
Purity ≥96%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrO₄
Molecular Weight 273.08
Synonym(s) DiMethyl 3-broMo-1,2-benzenedicarboxylate
SMILES COC(=O)C1=CC=CC(Br)=C1C(=O)OC

Description

Dimethyl 3-bromophthalate features a brominated phthalate core that enables direct functionalization in cross-coupling and nucleophilic substitution reactions. The methyl ester groups provide stability under standard conditions while maintaining reactivity toward amines, alcohols, and thiols. This bench-stable reagent facilitates the synthesis of complex aromatic derivatives with minimal purification.

Application

Dimethyl 3-bromophthalate serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the 3-position via transition-metal-catalyzed cross-coupling reactions. Its bromine substituent facilitates palladium-catalyzed arylations and Suzuki-Miyaura coupling with high efficiency, while the dimethyl ester groups provide orthogonal reactivity for further derivatization. The compound exhibits excellent bench stability, ease of handling, and compatibility with standard purification protocols, making it ideal for constructing complex phthalate-based scaffolds in medicinal chemistry and materials science applications.

Synthesis

Route1
- In-stock
  
  116-69-8
- 74-88-4
- ~88%
- In-stock
  
  58749-33-0
References
- Muller, George W.; Chen, Roger Shen-Chu; Man, Hon-Wah; Ruchelman, Alexander L. Patent: US2007/49618 A1, 2007 ; Location in patent: Page/Page column 70 ;
Route2
- In-stock
  
  34529-06-1
- ~%
- In-stock
  
  58749-33-0
References
- Arnold; Coyner Journal of the American Chemical Society, 1944 , vol. 66, p. 1542,1544

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 : P261-P280-P304+P340

Quality Control

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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 3-bromophthalate

CAS No. 58749-33-0

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