35779-04-5

Basic information

• Product Name: 1-TERT-BUTYL-3-IODOBENZENE
• Synonyms: 1-TERT-BUTYL-4-IODOBENZENE;1-TERT-BUTYL-3-IODOBENZENE;1-IODO-3-TERT-BUTYLBENZENE;2-(4'-IODOPHENYL)-2-METHYLPROPANE;BUTTPARK 44\03-82;1-tertiary butyl-4-iodo benzene;4-iodo-tert-butylbenzene;1-Iodo-4-tert-butylbenzene
• CAS NO: 35779-04-5
• Molecular Formula: C₁₀H₁₃I
• Molecular Weight: 260.11
• EINECS: -0
• Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Halides;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Aryl;Building Blocks;C9 to C12;Chemical Synthesis;Halogenated Hydrocarbons;Organic Building Blocks
• Mol File: 35779-04-5.mol
• Article Data: 48

Chemical Properties

• Melting Point: 78°C (estimate)
• Boiling Point: 140 °C
• Flash Point: >230 °F
• Appearance: Clear orange to red liquid
• Density: 1.468 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0469mmHg at 25°C
• Refractive Index: n20/D 1.57(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive: Light Sensitive
• BRN: 1931810
• CAS DataBase Reference: 1-TERT-BUTYL-3-IODOBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-TERT-BUTYL-3-IODOBENZENE(35779-04-5)
• EPA Substance Registry System: 1-TERT-BUTYL-3-IODOBENZENE(35779-04-5)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: LIGHT SENSITIVE
• Hazardous Substances Data: 35779-04-5(Hazardous Substances Data)

Usage

General Description

4-tert-Butyliodobenzene is an electron-rich aryl iodide. Heck reaction between 2-methylprop-2-en-1-ol and 4-tert-butyliodobenzene catalyzed by ionic liquids has been studied. It participates in the one-pot Heck-reductive amination reaction pathway during the synthesis of fungicide fenpropimorph.

InChI:InChI=1/C10H13I/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,1-3H3

Upstream product

• 769-92-6 4-tert-Butylaniline 
• 253185-03-4 tert-butylbenzene 
• 1836-87-9 9-Benzylidene-9H-fluorene 
• 5421-53-4 4,4'-Di-tert-butyldiphenyliodonium chloride 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 7598-28-9 4-tert-butylphenyltosylate 
• 21604-74-0 2,3-dichloro-2-norbornene 
• 96430-04-5 phenyl(p-tert-butylphenyl)iodonium-2-carboxylate 
• 119-64-2 tetralin 
• 61358-25-6 bis(4-tert-butylphenyl)iodonium hexafluorophosphate 
• 1710-98-1 p-tert-butyl benzoyl chloride 
• 84563-54-2 bis(4-tert-butylphenyl)iodonium trifluoromethanesulfonate 
• 100-51-6 benzyl alcohol 
• 370-69-4 tris(2,2,2-trifluoroethyl)phosphite 

Downstream Products

• 4627-22-9 bis(4-tert-butylphenyl)amine 
• 65602-21-3 4-^tButyl iodobenzenedichloride 
• 1625-91-8 4,4'-di-tert-butylbiphenyl 
• 64297-74-1 1-(tert-butyl)-4-iodosylbenzene 
• 34585-05-2 Phenyl--chlorphosphin 
• 27798-45-4 1-allyl-4-(tert-butyl)benzene 
• 253185-03-4 tert-butylbenzene 
• 619-58-9 4-iodobenzoic acid 
• 347399-43-3 1-tert-butyl-4-(4-trimethylsilyl-1,3-butadiynyl)benzene 
• 52908-55-1 bis(4-tert-butylphenyl) sulfide 
• 19711-56-9 C₁₇H₂₀S 
• 633317-93-8 4-[(4-tert-butylphenyl)ethynyl]-1,1'-biphenyl 

Relevant articles and documents

AROMATIC IODINATION BY POSITIVE IODINE ACTIVE SPECIES GENERATED BY ANODIC OXIDATION IN TRIMETHYL ORTHOFORMATE

Anodic oxidation of iodine in trimethyl orthoformate afforded a solution of positive iodine active species which brought about more selective aromatic iodination than the hitherto known other methods.

A palladium-catalyzed C-H functionalization route to ketones: Via the oxidative coupling of arenes with carbon monoxide

We describe the development of a new palladium-catalyzed method to generate ketones via the oxidative coupling of two arenes and CO. This transformation is catalyzed by simple palladium salts, and is postulated to proceed via the conversion of arenes into high energy aroyl triflate electrophiles. Exploiting the latter can also allow the synthesis of unsymmetrical ketones from two different arenes.

Disulfide-Catalyzed Iodination of Electron-Rich Aromatic Compounds

Herein, a disulfide-catalyzed electrophilic iodination of aromatic compounds using 1,3-diiodo-5,5-dimethylhydantoin (DIH) has been developed. The disulfide activates DIH as a Lewis base to promote the iodination reaction in acetonitrile under mild conditions. This system is applicable to a wide range of electron-rich aromatic compounds, including acetanilide, anisole, imidazole, and pyrazole derivatives.