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

Description

1-TERT-BUTYL-3-IODOBENZENE, also known as 4-tert-butyliodobenzene, is an electron-rich aryl iodide. It is a chemical compound that has been studied for its participation in the Heck reaction, a type of carbon-carbon bond-forming reaction, and is involved in the synthesis of certain compounds.

Uses

Used in Pharmaceutical Industry:
1-TERT-BUTYL-3-IODOBENZENE is used as a chemical intermediate for the synthesis of pharmaceutical compounds, specifically in the one-pot Heck-reductive amination reaction pathway during the synthesis of the fungicide fenpropimorph. This application is crucial for the development of effective antifungal agents in agriculture and other industries.
Used in Organic Chemistry Research:
1-TERT-BUTYL-3-IODOBENZENE is used as a reactant in the Heck reaction, which is a significant area of study in organic chemistry. The reaction between 2-methylprop-2-en-1-ol and 1-TERT-BUTYL-3-IODOBENZENE, catalyzed by ionic liquids, has been specifically investigated, contributing to the understanding of carbon-carbon bond formation and the development of new synthetic methods.

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 
• 591-50-4 iodobenzene 
• 513-36-0 isobutyryl chloride 
• 253185-03-4 tert-butylbenzene 
• 119-64-2 tetralin 
• 103-30-0 (E)-1,2-diphenyl-ethene 
• 64297-75-2 4-^tButyl iodoxybenzene 
• 1836-87-9 9-Benzylidene-9H-fluorene 
• 21604-74-0 2,3-dichloro-2-norbornene 
• 96430-04-5 phenyl(p-tert-butylphenyl)iodonium-2-carboxylate 
• 201230-82-2 carbon monoxide 
• 58377-39-2 bis(4-tert-butylphenyl)iodonium bromide 
• 5421-53-4 4,4'-Di-tert-butyldiphenyliodonium chloride 
• 3972-65-4 1-bromo-4-tert-butylbenzene 

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 
• 56767-93-2 1-(4-tert-butylphenyl)-2-phenylethane 
• 131376-93-7 (1S,2S,3R,4R)-3-(4-tert-Butyl-phenyl)-bicyclo[2.2.1]heptane-2-carbonitrile 
• 253185-03-4 tert-butylbenzene 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 20374-76-9 (E)-1-(4-tert-butylphenyl)-2-phenylethene 
• 769-92-6 4-tert-Butylaniline 
• 103826-49-9 1-(tert-butyl)-4-(3-methylbut-2-en-1-yl)benzene 
• 165820-83-7 N¹,N¹,N³,N³,N⁵,N⁵-hexakis(4-(tert-butyl)phenyl)benzene-1,3,5-triamine 
• 70079-11-7 diacetylene 

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.

Synthesis of pure blue emissive poly(2,7-carbazole)s anchored by electron donor pendant

Three novel poly(2,7-carbazole)s having hole injection and transporting pendent moieties of carbazole and triphenylamine at the N-position were synthesized for achieving pure blue electroluminescence. The N-pendants in the polymers correspond to N-phenylcarbazol-2-yl (P1), N,N-diphenylamino-N-phenylcarabazol-2-yl (P2), and 4-phenyl having a hydrocarbon chain with a triphenylamine terminal (P3), respectively. Electronic, optical, and electroluminescence properties of these polymers were compared with those of a poly(2,7-carbazole) directly connected with triphenylamine at the N-position (P0) having an aggregation-induced emissive property. The photoluminescence (PL) spectra suggested that they could emit in the region of blue light in the film state. Especially, P2 that has the fixed and large diphenylaminocarbazolyl pendant showed a deep-blue fluorescence with CIE(x, y) = (0.15, 0.07). The P0, P2, and P3 based light emitting diode devices showed maximum electroluminescence wavelengths in the range of 430–450 nm. The P2 device showed pure blue emission (CIE[x, y] = [0.18, 0.16]), high luminance (1130 cd/m2) and current density (628 mA/cm2) at 8 V, whereas low-energy emissions around 500–600 nm were emerged at higher than 9 V. The P0 and P3 devices also showed a blue electroluminescence in the range of 8–11 V, but their luminance and efficiency were low.