38941-98-9

Basic information

• Product Name: 4-(tert-Butyl)-2-iodophenol
• Synonyms: 4-(tert-Butyl)-2-iodophenol;1-(tert-Butyl)-4-hydroxy-3-iodobenzene
• CAS NO: 38941-98-9
• Molecular Formula: C₁₀H₁₃IO
• Molecular Weight: 276.12
• Mol File: 38941-98-9.mol
• Article Data: 27

Chemical Properties

• Melting Point: 73-75 °C
• Boiling Point: 254.443 °C at 760 mmHg
• Flash Point: 107.684 °C
• Appearance: /
• Density: 1.563 g/cm³
• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.588
• Storage Temp.: 2-8°C(protect from light)
• PKA: 8.73±0.18(Predicted)
• CAS DataBase Reference: 4-(tert-Butyl)-2-iodophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(tert-Butyl)-2-iodophenol(38941-98-9)
• EPA Substance Registry System: 4-(tert-Butyl)-2-iodophenol(38941-98-9)

Safety Data

• Hazardous Substances Data: 38941-98-9(Hazardous Substances Data)

Usage

General Description

4-(tert-Butyl)-2-iodophenol is a chemical compound with the molecular formula C10H13IO. It is classified as a phenol with a tert-butyl group and an iodine atom attached to the benzene ring. 4-(tert-Butyl)-2-iodophenol is used in organic synthesis and pharmaceutical research as a reagent and intermediate. It is also a valuable building block for the production of various pharmaceuticals and agrochemicals. Additionally, it has been studied for its potential biological activity and medicinal properties. However, it is important to handle this compound with care due to its potential hazards and toxic effects.

InChI:InChI=1/C10H13IO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

Upstream product

• 98-54-4 para-tert-butylphenol 
• 498-73-7 2-chloromercuri-4-(1,1-dimethylethyl)phenol 

Downstream Products

• 63712-10-7 N-(5-tert-Butyl-2-hydroxy-3-iodo-benzyl)-2-chloro-acetamide 
• 58456-91-0 2-aminomethyl-4-tert-butyl-6-iodophenol 
• 122778-95-4 5-(tert-butyl)-2-phenylbenzo[b]furan 
• 1134193-57-9 6-tert-butyl-4-(3-methoxyphenyl)-2H-1,4-benzoxazin-3(4H)-one 
• 1134193-60-4 4-(4-bromophenyl)-6-tert-butyl-2H-1,4-benzoxazin-3(4H)-one 
• 1134193-59-1 ethyl 4-(6-tert-butyl-3-oxo-2H-1,4-benzoxazin-4(3H)-yl)benzoate 
• 217966-72-8 4-(tert-butyl)-2-iodophenyltrifluoromethane sulfonate 
• 1195764-60-3 6-tert-butyl-4-phenyl-(2H)-1,4-benzoxazin-3(4H)-one 
• 6238-96-6 2H-2,3-dihydro-6-(1,1-dimethylethyl)benzo[b]-1,4-oxazin-3-one 
• 1214261-23-0 C₁₅H₁₇IOS 
• 1294010-12-0 N-(5-tert-butylbenzo[d][1,3]oxathiol-2-ylidene)-4-chlorobenzenamine 
• 1294010-11-9 N-(5-tert-butylbenzo[d][1,3]oxathiol-2-ylidene)-4-nitrobenzenamine 
• 75908-75-7 2,6-diiodo-4-(tert-butyl)phenol 

Relevant articles and documents

Palladium-Catalyzed Chemoselective Oxidative Addition of Allyloxy-Tethered Aryl Iodides: Synthesis of Medium-Sized Rings and Mechanistic Studies

This Letter describes a Pd-catalyzed Tsuji-Trost-type/Heck reaction with allyloxy-tethered aryl iodides and aziridines. The strategy provides efficient access to benzannulated medium-sized rings via intermolecular cyclization. The substrate aryl iodide ha

Pd-Catalyzed ipso, meta-Dimethylation of ortho-Substituted Iodoarenes via a Base-Controlled C-H Activation Cascade with Dimethyl Carbonate as the Methyl Source

A methyl group can have a profound impact on the pharmacological properties of organic molecules. Hence, developing methylation methods and methylating reagents is essential in medicinal chemistry. We report a palladium-catalyzed dimethylation reaction of ortho-substituted iodoarenes using dimethyl carbonate as a methyl source. In the presence of K2CO3 as a base, iodoarenes are dimethylated at the ipso- and meta-positions of the iodo group, which represents a novel strategy for meta-C-H methylation. With KOAc as the base, subsequent oxidative C(sp3)-H/C(sp3)-H coupling occurs; in this case, the overall transformation achieves triple C-H activation to form three new C-C bonds. These reactions allow expedient access to 2,6-dimethylated phenols, 2,3-dihydrobenzofurans, and indanes, which are ubiquitous structural motifs and essential synthetic intermediates of biologically and pharmacologically active compounds.

A Convenient Palladium-Catalyzed Carbonylative Synthesis of (E)-3-Benzylidenechroman-4-ones

A convenient palladium-catalyzed carbonylation reaction for the efficient synthesis of (E)-3-benzylidenechroman-4-ones has been developed. Using TFBen as a solid CO source, a range of substituted (E)-3-benzylidenechroman-4-ones were prepared in moderate to good yields with 2-iodophenols and allyl chlorides as the substrates. Additionally, substituted quinolin-4(1H)-ones can also be obtained with 2-iodoaniline as the starting material.