Methyl 2,4-dihydroxy-5-isopropylbenzoate

Name: Methyl 2,4-dihydroxy-5-isopropylbenzoate
Brand: ChemScene
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CAS No. 943519-37-7
Cat. No. CS-0021846
Purity≥97%
MDL No.MFCD16037579

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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 2,4-dihydroxy-5-isopropylbenzoate|CS-0021846

Structure of 943519-37-7

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General Information

CAS No. 943519-37-7
Cat. No. CS-0021846
Purity ≥97%
MDL No. MFCD16037579
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄O₄
Molecular Weight None
Synonym(s) 2,4-Dihydroxy-5-isopropylbenzoic acid methyl ester; methyl 2,4-dihydroxy-5-propan-2-ylbenzoate
SMILES O=C(OC)C1=CC(C(C)C)=C(O)C=C1O

Description

Methyl 2,4-dihydroxy-5-isopropylbenzoate features a sterically hindered aromatic core with strategically positioned hydroxyl and methyl ester groups. This configuration enhances solubility in polar organic solvents while maintaining stability under standard bench conditions. The para-hydroxyl and ortho-methyl functionalities enable direct incorporation into complex synthetic sequences without protection.

Application

Methyl 2,4-dihydroxy-5-isopropylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted phenolic scaffolds. Its ortho-dihydroxy motif supports metal-catalyzed coupling reactions and oxidation-sensitive transformations, while the methyl ester provides a handle for selective derivatization. The isopropyl group enhances lipophilicity and steric profile, offering tunable properties for target-directed synthesis. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step synthetic sequences.

Synthesis

Route1
- 912545-08-5
- ~99%
- In-stock
  
  943519-37-7
References
- ASTEX THERAPEUTICS LIMITED; WILLIAMS, Marian Patent: WO2009/125230 A1, 2009 ; Location in patent: Page/Page column 102 ;

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 66.76
LogP 2.0078
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2,4-dihydroxy-5-isopropylbenzoate

CAS No. 943519-37-7

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