Methyl 3-bromo-4-isopropoxybenzoate

Name: Methyl 3-bromo-4-isopropoxybenzoate
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CAS No. 213598-10-8
Cat. No. CS-0154162
Molecule weight273.12
Purity≥98%
MDL No.MFCD09271835

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 3-bromo-4-isopropoxybenzoate|CS-0154162

Structure of 213598-10-8

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General Information

CAS No. 213598-10-8
Cat. No. CS-0154162
Purity ≥98%
MDL No. MFCD09271835
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃BrO₃
Molecular Weight 273.12
Synonym(s) None
SMILES CC(C)OC1=C(C=C(C=C1)C(=O)OC)Br

Description

Methyl 3-bromo-4-isopropoxybenzoate features a brominated aromatic core with a strategically positioned isopropoxy group, enhancing solubility and reactivity in cross-coupling transformations. This bench-stable ester serves as a key intermediate in the synthesis of bioactive molecules and functional materials, particularly in pharmaceutical and agrochemical development.

Application

Methyl 3-bromo-4-isopropoxybenzoate serves as a versatile building block for the synthesis of functionalized aromatic scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the isopropoxy substituent offers moderate steric bulk and enhanced solubility. The ester functionality allows for selective hydrolysis or reduction, facilitating downstream transformations. This compound exhibits good bench stability and is compatible with standard reaction conditions in medicinal chemistry and materials synthesis workflows.

Synthesis

Route1
- In-stock
  
  29415-97-2
- 75-26-3
- ~83%
- In-stock
  
  213598-10-8
References
- WO2005/63729 A1, ; Page/Page column 91-92 ; WO 2005/063729 A1
Route2
- 75-30-9
- In-stock
  
  29415-97-2
- ~%
- In-stock
  
  213598-10-8
References
- WO2005/58848 A1, ; Page/Page column 46 ; WO 2005/058848 A1
Route3
- In-stock
  
  14348-41-5
- ~%
- In-stock
  
  213598-10-8
References
- WO2011/72488 A1, ; WO 2011/072488 A1

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 35.53
LogP 3.0229
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Methyl 3-bromo-4-isopropoxybenzoate

CAS No. 213598-10-8

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