Methyl 4-fluoro-3-iodobenzoate

Name: Methyl 4-fluoro-3-iodobenzoate
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CAS No. 1121586-29-5
Cat. No. CS-0105536
Purity≥98%
MDL No.MFCD11870177

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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 4-fluoro-3-iodobenzoate|CS-0105536

Structure of 1121586-29-5

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General Information

CAS No. 1121586-29-5
Cat. No. CS-0105536
Purity ≥98%
MDL No. MFCD11870177
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆FIO₂
Molecular Weight 280.04
Synonym(s) Methyl 3-iodo-4-fluorobenzoate
SMILES O=C(OC)C1=CC=C(F)C(I)=C1

Description

Methyl 4-fluoro-3-iodobenzoate features a strategically positioned iodine atom enabling direct cross-coupling reactions, while the para-fluoro group enhances reactivity in palladium-catalyzed transformations. This bench-stable ester integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 4-fluoro-3-iodobenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient C–C and C–heteroatom bond formation. The ortho-iodo and para-fluoro substituents provide complementary reactivity for sequential functionalization, while the methyl ester group offers straightforward derivatization. Its bench-stable nature and compatibility with palladium-catalyzed processes make it ideal for constructing complex aromatic scaffolds in medicinal chemistry and materials synthesis.

Synthesis

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- 67-56-1
- In-stock
  
  403-18-9
- ~%
- In-stock
  
  1121586-29-5
References
- Lo, Shih-Chun; Harding, Ruth E.; Brightman, Edward; Burn, Paul L.; Samuel, Ifor D. W. Journal of Materials Chemistry, 2009 , vol. 19, # 20 p. 3213 - 3227

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 26.3
LogP 2.2169
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-fluoro-3-iodobenzoate

CAS No. 1121586-29-5

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