2-Iodo-4,5-dimethylaniline

Name: 2-Iodo-4,5-dimethylaniline
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 117832-17-4
Cat. No. CS-0098668
Purity≥95%
MDL No.MFCD07779006

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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 117832-17-4

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General Information

CAS No. 117832-17-4
Cat. No. CS-0098668
Purity ≥95%
MDL No. MFCD07779006
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₀IN
Molecular Weight 247.08
Synonym(s) None
SMILES NC1=CC(C)=C(C=C1I)C

Description

2-Iodo-4,5-dimethylaniline features a sterically hindered aromatic core with iodine and methyl groups positioned for selective cross-coupling reactions. This bench-stable derivative enables efficient access to functionalized anilines in late-stage diversification workflows.

Application

2-Iodo-4,5-dimethylaniline serves as a valuable building block for the synthesis of biologically relevant heterocycles and functionalized aromatic systems. Its iodine substituent enables efficient palladium-catalyzed coupling reactions, while the dimethylamino groups provide electronic modulation and enhanced solubility. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and materials science applications.

Synthesis

Route1
- 95-64-7
- ~84%
- In-stock
  
  117832-17-4
References
- Kajigaeshi, Shoji; Kakinami, Takaaki; Yamasaki, Hiromichi; Fujisaki, Shizuo; Okamoto, Tsuyoshi Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 2 p. 600 - 602

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 26.02
LogP 2.49024
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Iodide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Iodo-4,5-dimethylaniline

CAS No. 117832-17-4

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