Methyl 3,5-dihydroxy-4-iodobenzoate

Name: Methyl 3,5-dihydroxy-4-iodobenzoate
Brand: ChemScene
Availability: InStock
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CAS No. 338454-02-7
Cat. No. CS-0090457
Purity≥96%
MDL No.MFCD15071424

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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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Methyl 3,5-dihydroxy-4-iodobenzoate|CS-0090457

Structure of 338454-02-7

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General Information

CAS No. 338454-02-7
Cat. No. CS-0090457
Purity ≥96%
MDL No. MFCD15071424
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇IO₄
Molecular Weight 294.04
Synonym(s) None
SMILES O=C(OC)C1=CC(O)=C(I)C(O)=C1

Description

Methyl 3,5-dihydroxy-4-iodobenzoate features a benzene ring bearing strategically positioned hydroxyl groups and a terminal iodide, enabling direct functionalization in cross-coupling reactions. The methyl ester facilitates downstream derivatization, while the electron-rich aromatic core supports efficient metal-catalyzed transformations under mild conditions.

Application

Methyl 3,5-dihydroxy-4-iodobenzoate serves as a versatile building block for the synthesis of bioactive heterocycles and functionalized aromatic scaffolds. The ortho-dihydroxy motif enables metal-catalyzed coupling reactions, while the iodide group facilitates palladium-catalyzed cross-couplings under mild conditions. Bench-stable and amenable to orthogonal functional group manipulation, it supports efficient access to complex phenolic architectures in medicinal chemistry and materials science applications.

Synthesis

Route1
- 67-56-1
- 76447-13-7
- ~87%
- In-stock
  
  338454-02-7
References
- Basilea Pharmaceutica AG Patent: US6821980 B1, 2004 ; Location in patent: Page column 21 ;
Route2
- In-stock
  
  2150-44-9
- ~86%
- In-stock
  
  338454-02-7
References
- Berliner, Martin A.; Cordi, Eric M.; Dunetz, Joshua R.; Price, Kristin E. Organic Process Research and Development, 2010 , vol. 14, # 1 p. 180 - 187

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 66.76
LogP 1.489
H_Acceptors 4
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 3,5-dihydroxy-4-iodobenzoate

CAS No. 338454-02-7

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