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4-tert-Butyl-2-iodo-aniline is a chemical compound characterized by the molecular formula C11H15IN. It is a substituted aniline derivative featuring a tert-butyl group and an iodine atom attached to its aromatic ring. 4-tert-Butyl-2-iodo-aniline is known for its dual nucleophilic and electrophilic properties, which contribute to its versatility in organic synthesis. However, due to its toxic and potentially harmful nature, it requires careful handling.

128318-63-8

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128318-63-8 Usage

Uses

Used in Pharmaceutical Synthesis:
4-tert-Butyl-2-iodo-aniline is utilized as a key intermediate in the synthesis of various pharmaceuticals. Its unique structural features and reactivity make it a valuable component in the development of new drugs with specific therapeutic properties.
Used in Agrochemical Production:
4-tert-Butyl-2-iodo-aniline also finds application in the production of agrochemicals, where it serves as an intermediate for the synthesis of active ingredients in pesticides and other agricultural chemicals, contributing to enhanced crop protection and yield.
Used in Dye and Pigment Manufacturing:
4-tert-Butyl-2-iodo-aniline is employed as an intermediate in the manufacturing of dyes and pigments, where its chemical properties allow for the creation of a wide range of colorants used in various industries, including textiles, plastics, and printing inks.
Used in the Production of Fine Chemicals:
In the realm of fine chemicals, 4-tert-Butyl-2-iodo-aniline plays a role as an intermediate, contributing to the synthesis of specialty chemicals used in research, analytical chemistry, and other high-value applications.

Check Digit Verification of cas no

The CAS Registry Mumber 128318-63-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,3,1 and 8 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 128318-63:
(8*1)+(7*2)+(6*8)+(5*3)+(4*1)+(3*8)+(2*6)+(1*3)=128
128 % 10 = 8
So 128318-63-8 is a valid CAS Registry Number.

128318-63-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-tert-Butyl-2-iodo-aniline

1.2 Other means of identification

Product number -
Other names 4-tert-butyl-2-iodoaniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:128318-63-8 SDS

128318-63-8Upstream product

128318-63-8Relevant academic research and scientific papers

Modular counter-Fischer?indole synthesis through radical-enolate coupling

Chung, Hyunho,Kim, Jeongyun,Gonzalez-Montiel, Gisela A.,Cheong, Paul Ha-Yeon,Lee, Hong Geun

supporting information, p. 1096 - 1102 (2021/01/26)

A single-electron transfer mediated modular indole formation reaction from a 2-iodoaniline derivative and a ketone has been developed. This transition-metal-free reaction shows a broad substrate scope and unconventional regioselectivity trends. Moreover, important functional groups for further transformation are tolerated under the reaction conditions. Density functional theory studies reveal that the reaction proceeds by metal coordination, which converts a disfavored 5-endo-trig cyclization to an accessible 7-endo-trig process.

ALPHAvBETA1 INTEGRIN ANTAGONISTS

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Paragraph 0171; 0258, (2020/01/31)

The present disclosure provides pharmaceutical agents, including those of the formula: (I) wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Methods of using the pharmaceutical agents are also provided. The compounds may be used for the inhibition or antagonism of integrins ανβ1 and/or α5β1. In some embodiments, the compounds provided herein exhibit reduced inhibitory or antagonistic activity of integrins ανβ3, ανβ5, ανβ6, ανβ8, and/or αIIbβ3.

Photochemical Approach to the Cyclohepta[b]indole Scaffold by Annulative Two-Carbon Ring-Expansion

Tymann, Dina Christina,Benedix, Lars,Iovkova, Lyuba,Pallach, Roman,Henke, Sebastian,Tymann, David,Hiersemann, Martin

supporting information, p. 11974 - 11978 (2020/08/21)

We report on the implementation of the concept of a photochemically elicited two-carbon homologation of a π-donor–π-acceptor substituted chromophore by triple-bond insertion. Implementing a phenyl connector between the slide-in module and the chromophore enabled the synthesis of cylohepta[b]indole-type building blocks by a metal-free annulative one-pot two-carbon ring expansion of the five-membered chromophore. Post-irradiative structural elaboration provided founding members of the indolo[2,3-d]tropone family of compounds. Control experiments in combination with computational chemistry on this multibond reorganization process founded the basis for a mechanistic hypothesis.

Cu-Catalyzed Oxidation of C2 and C3 Alkyl-Substituted Indole via Acyl Nitroso Reagents

Zhang, Jun,Torabi Kohlbouni, Saeedeh,Borhan, Babak

supporting information, p. 14 - 17 (2019/01/08)

The selective oxidation of C2-alkyl-substituted indoles to 3-oxindole and the selective C-H oxygenation or amination of C2,C3-dialkyl-substituted indoles at C2 are reported under mild conditions. The position of the alkyl substitution on the indole directs the reaction to different pathways under similar conditions.

Base-Promoted Aerobic Oxidation/Homolytic Aromatic Substitution Cascade toward the Synthesis of Phenanthridines

Maiti, Debabrata,Halder, Atreyee,De Sarkar, Suman

supporting information, p. 4941 - 4948 (2019/11/03)

The current protocol represents a transition metal-free synthesis of polysubstituted phenanthridines from abundant starting materials like benzhydrol and 2-iodoaniline derivatives. The reaction involves sequential oxidation of alcohol and direct condensation reaction with the amine resulting in a C?N bond formation followed by a radical C?C coupling in a cascade sequence. The used base potassium tert-butoxide plays a dual role in dehydrogenation and homolytic aromatic substitution reaction. Using this methodology, twenty substituted phenanthridine derivatives were synthesized with up to 85% isolated yield. (Figure presented.).

INTEGRIN ANTAGONISTS

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Page/Page column 120, (2018/08/03)

The present disclosure provides pharmaceutical agents, including those of the formula:(I) wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such pharmaceutical agents. Meth

Iodine(I) reagents in hydrochloric acid-catalyzed oxidative iodination of aromatic compounds by hydrogen peroxide and iodine

Bedrac, Leon,Iskra, Jernej

supporting information, p. 1243 - 1248 (2013/06/27)

Hydrochloric acid activates the oxidative iodination of aromatic compounds with the iodine- hydrogen peroxide system through the formation of an iodine(I) compound as the iodinating reagent. Activation with hydrochloric acid is more powerful than that with sulfuric acid. The formation of dichloroiodic(I) acid (HICl2) with various forms of hydrogen peroxide was followed using UV spectroscopy. The HICl2 was used as the iodinating reagent. In the preparative oxidative iodinaton of various aromatic compounds, hydrochloric acid was used in a catalytic amount and the iodine(I) reagent was formed in situ with 0.5 equiv. hydrogen peroxide and 0.5 equiv. molecular iodine. Two types of reactivity were observed in oxidative iodination with iodine(I) species catalyzed by hydrochloric acid: in the iodination of anisole 1a better yields of iodination were observed with a smaller amount of hydrochloric acid, while on the contrary 4-tert-butyltoluene 1b gave better yields of iodination upon increasing the amount of hydrochloric acid. Reactivity was further manipulated by the choice of the solvent (MeCN, trifluoroethanol, hexafluoro-2-propanol). Copyright

Consecutive gold(I)-catalyzed cyclization reactions of o -(buta-1,3-diyn-1-yl-)-substituted N-aryl ureas: A one-pot synthesis of pyrimido[1,6- a ]indol-1(2 H)-ones and related systems

Sharp, Phillip P.,Banwell, Martin G.,Renner, Jens,Lohmann, Klaas,Willis, Anthony C.

supporting information, p. 2616 - 2619 (2013/07/11)

Treatment of readily available o-(buta-1,3-diyn-1-yl-)-substituted N-aryl ureas such as 1 with the Au(I)-catalyst 11 affords, via a twofold cyclization process, the isomeric pyrimido[1,6-a]indol-1(2H)-one 3 in good yield.

Synthetic chloride transporters with the binding mode observed in a ClC chloride channel

Choi, Ye Rin,Chae, Min Kyung,Kim, Dongwook,Lah, Myoung Soo,Jeong, Kyu-Sung

supporting information, p. 10346 - 10348 (2012/11/07)

A series of synthetic molecules bearing the same hydrogen bonding mode observed in StClC were prepared and their transport ability of chloride ion across a lipid membrane was systematically optimized.

Helically foldable diphenylureas as anion receptors: Modulation of the binding affinity by the chain length

Kim, Min Jung,Lee, Hye-Won,Jeong, Kyu-Sung,Moon, Dohyun

supporting information, p. 5042 - 5045,4 (2020/09/15)

Using a series of diphenylureas capable of folding to helical conformations, the binding trends have been compared between two anions of different sizes, chloride and sulfate. The binding constant for the sulfate ion steadily increases from monomer to pen

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