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392499

Sigma-Aldrich

1-Iodo-3,4-dimethylbenzene

99%

Synonym(s):

4-Iodo-o-xylene

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About This Item

Linear Formula:
(CH3)2C6H3I
CAS Number:
31599-61-8
Molecular Weight:
232.06
MDL number:
MFCD00040989
UNSPSC Code:
12352100
PubChem Substance ID:
24864459
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.603 (lit.)

bp

106-108 °C/13 mmHg (lit.)

density

1.633 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(I)cc1C

InChI

1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3

InChI key

CSFRCLYFVINMBZ-UHFFFAOYSA-N

General description

1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) is an aryl halide. Its synthesis, NMR and IR spectra has been reported. Its nitration reaction and copper catalyzed trifluoromethylation reaction has been studied.

Application

1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) may be used in the synthesis of the following:
  • 3-arylacrylamide
  • 3,3-diaryl substituted acrylamide
  • 3-arylpropylamine
  • di-tert-butyl 1-(3,4-dimethylphenyl)hydrazine-1,2-dicarboxylate
  • 2,3,7,8-tetramethyldibenzofuran
  • N-(3-(3,4-Dimethylphenyl)-2-phthalimidopropionyl)-2-methylthioaniline

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of 3-arylpropylamine derivatives from aryl halides using Heck reaction.
Baek GH, et al.
Bull. Korean Chem. Soc., 20, 232-236 (1999)
Martyn Inman et al.
The Journal of organic chemistry, 77(3), 1217-1232 (2011-10-08)
In a new variation on the Fischer indole synthesis, readily available haloarenes are converted into a wide range of indoles in just two steps by halogen-magnesium exchange and quenching with di-tert-butyl azodicarboxylate, followed by reaction with aldehydes or ketones under
Towards a practical and efficient copper-catalyzed trifluoromethylation of aryl halides.
Schareina T, et al.
Topics in Catalysis, 55(7-10), 426-431 (2012)
Dmitry Shabashov et al.
Journal of the American Chemical Society, 132(11), 3965-3972 (2010-02-24)
We have developed a method for auxiliary-directed, palladium-catalyzed beta-arylation and alkylation of sp(3) and sp(2) C-H bonds in carboxylic acid derivatives. The method employs a carboxylic acid 2-methylthioaniline- or 8-aminoquinoline amide substrate, aryl or alkyl iodide coupling partner, palladium acetate
ipso-Nitration of 4-iodo-o-xylene.
Zweig A, et al.
The Journal of Organic Chemistry, 42(25), 4049-4052 (1977)
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