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2-(tert-Butylthio)aniline is a chemical compound characterized by a phenyl ring with an amino group and a tert-butylthio group attached. It is a versatile and valuable building block in the chemical and pharmaceutical industries due to its ability to participate in various chemical reactions and organic synthesis processes.

51942-41-7

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51942-41-7 Usage

Uses

Used in Pharmaceutical Industry:
2-(tert-Butylthio)aniline is used as a building block for the synthesis of bioactive molecules, contributing to the development of new pharmaceutical compounds. Its functional groups enable various functionalization reactions, making it suitable for creating diverse drug candidates.
Used in Agrochemical Industry:
In the agrochemical industry, 2-(tert-Butylthio)aniline is utilized as a precursor for the synthesis of bioactive molecules with potential applications in crop protection and pest control. Its reactivity allows for the creation of novel agrochemicals with improved efficacy and selectivity.
Used in Dye and Pigment Manufacturing:
2-(tert-Butylthio)aniline is employed as a starting material in the production of dyes and pigments. Its chemical structure allows for the development of new colorants with enhanced properties, such as improved color strength, stability, and resistance to fading.
Used in Organic Chemical Synthesis:
As a versatile chemical building block, 2-(tert-Butylthio)aniline is used in the synthesis of various organic chemicals. Its reactivity and functional groups make it suitable for the production of a wide range of compounds, including intermediates for pharmaceuticals, agrochemicals, and other specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 51942-41-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,9,4 and 2 respectively; the second part has 2 digits, 4 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 51942-41:
(7*5)+(6*1)+(5*9)+(4*4)+(3*2)+(2*4)+(1*1)=117
117 % 10 = 7
So 51942-41-7 is a valid CAS Registry Number.

51942-41-7SDS

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 2-tert-butylsulfanylaniline

1.2 Other means of identification

Product number -
Other names Benzenamine,2-[(1,1-dimethylethyl)thio]

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:51942-41-7 SDS

51942-41-7Relevant academic research and scientific papers

Synthesis method of isothiourea catalyst

-

Paragraph 0063; 0064, (2019/07/17)

The invention relates to the field of organic chemistry, and in particular relates to a synthesis method of an isothiourea catalyst. The method comprises the following steps: (1) taking o-fluoronitrobenzene as an initial raw material to synthesize o-nitro

Synthesis and biological evaluation of vanadium complexes as novel anti-tumor agents

Lu, Ling-Pan,Suo, Feng-Zhi,Feng, Ya-Li,Song, Li-Li,Li, Ying,Li, Yang-Jie,Wang, Kai-Ti

, p. 1 - 10 (2019/05/15)

A class of vanadium complexes were prepared and investigated for their antiproliferative effects by MTT assay. The structure-activity relationship was extensively studied through the ligand variation. The results showed that the synthetic vanadium complexes demonstrated moderate to good antiproliferative activities against the four cancer cell lines including MGC803, EC109, MCF7 and HepG2, respectively. Of note was that most of the complexes showed preferential growth inhibitory activity to some degree toward gastric cancer line MGC803. Among them, complex 19 exhibited the most and broad-spectrum proliferative inhibition against the tested cell lines. In addition, mechanism studies illustrated that complex 19 could prevent the colony formation, migration and EMT process, as well as induce apoptosis of MGC803 cells. Furthermore, Western blot experiments revealed that the expression of apoptosis-related proteins changed, including up-regulation of Bax, PARP and caspase-3/9, as well as down-regulation of Bcl-2.

Thermolysis-Induced Two- or Multicomponent Tandem Reactions Involving Isocyanides and Sulfenic-Acid-Generating Sulfoxides: Access to Diverse Sulfur-Containing Functional Scaffolds

Wu, Shengfeng,Lei, Xiaofang,Fan, Erkang,Sun, Zhihua

supporting information, p. 522 - 525 (2018/02/10)

Direct reaction of isocyanides with some sulfenic-acid-generating sulfoxides led to the effective formation of the corresponding thiocarbamic acid S-esters in good to high yields. A multicomponent reaction involving isocyanide, sulfoxide, and a suitable nucleophile has also been developed, providing ready access to a diverse range of sulfur-containing compounds, including isothioureas, carbonimidothioic acid esters, and carboximidothioic acid esters.

N,N'-Bis(2-mercaptophenyl)propane-1,3-diamine as a new organic ligand of the N2S2 type and its coordination compound with nickel(II)

Frolov,Mazhuga,Beloglazkina,Zyk,Egorov

experimental part, p. 544 - 549 (2011/02/16)

A method for the synthesis of new tetradentate organic ligand of the N2S2 type, viz., N,N'-bis (2-mercaptophenyl)propane-1,3-diamine has been developed, starting from 2-(tert-butyl thio)aniline and malonyl dichloride. Coordination compound of this ligand

Iron-catalyzed thioetherification of thiols with aryl iodides

Wu, Jhih-Ru,Lin, Che-Hung,Lee, Chin-Fa

supporting information; experimental part, p. 4450 - 4452 (2009/12/29)

FeCl3 in combination with bisphosphine ligands represents an efficient catalyst system for the cross-coupling of aryl- and alkyl thiols with aryl iodides, a broad spectrum of functional groups can be tolerated during the catalysis. The Royal Society of Chemistry 2009.

Direct aromatic tert-butylation during the synthesis of thiochroman-4-ones

Clayton, Stephen E.,Gabbutt, Christopher D.,Hepworth, John D.,Mark Heron

, p. 939 - 946 (2007/10/02)

The synthesis of thiochroman-4-ones from thiophenols and 3-methylbut-2-enoic acid effected by methane sulphonic acid is accompanied by tert-butylation of the aromatic ring. 3-Arylthiobutanoic acids, available using β-butyrolactone, are efficiently cyclised in the same manner.

Influence of Ion Pairing, Steric Effects, and Other Specific Interactions on the Reactivity of Thioanions with Chloronitrobenzenes. Nucleophilic Aromatic Substitution vs Reduction

Montanari, Stefano,Paradisi, Cristina,Scorrano, Gianfranco

, p. 4274 - 4279 (2007/10/02)

The reactions in 2-propanol of the isomeric chloronitrobenzenes with thiolate nucleophiles, RS- (R=Me, i-Pr, t-Bu, Ph), have been studied to test for the ability of these representative thioanions of inducing chloride displacement and/or nitro reduction. m-Chloronitrobenzene gives a complex mixture of products, all still retaining the chlorine substituent, via redox processes involving nitro reduction and ring alkylthiolation.In contrast, the ortho and para isomers undergo substitution of chloride according to the addition/elimination SNAr mechanism also when O2 is removed from the reaction environment.Notably, treatment of o- and p-chloronitrobenzene with the oxanion 2-propoxide in oxygen-free i-PrOH results, instead, in nitro reduction.Kinetic and product studies indicate that i-PrS- is more reactive than i-PrO- in both redox and SNAr reactions, the difference in reactivity being, however, considerably greater in the latter process.The MeS- > i-PrS- > PhS- > t-BuS- reactivity order observed in the SNAr reactions is opposite, as far as the aliphatic thiolates are concerned, to the order of basicity.Notably, reactivity drops with increasing bulkiness of the attacking nucleophile.However, kinetic results obtained under conditions of ion paired and of "free" anions and the effects of ion pairing on the kortho/kpara ratios suggest that steric effects in the transition states are scarcely dependent on the bulkiness of the substituent R in the nucleophile RS- and that nucleophilic reactivity is largely determined by the extent of charge concentration on the attacking atom, which, in turn, affects the strength of ion-pairing interactions.

149. Notizen zur Synthese von 2-Aminophenylsulfonen

Courtin, Alfred,Tobel, Hans-Rudolf von,Auerbach, Guenther

, p. 1412 - 1419 (2007/10/02)

Syntheses of the alkyl, cycloalkyl and aryl 2-aminophenyl sulfones 10 were achieved by oxidation of the corresponding 2-nitrophenyl sulfides 7 to the 2-nitrophenyl sulfones 9 followed by ethanolic Bechamp-reduction.The sulfides 7 in turn were obtained by either reactions of 2-nitro-thiophenol (8) with the appropriate alkyl and cycloalkyl halides or of 2-chloro-nitrobenzene (5) with the relevant thiols.Condensation of 2-nitrobenzenesulfinic acid (3) with bromoacetic acid in aqueous alkaline solution led - presumably via 2-nitrophenylsulfonylacetic acid (4) - to methyl2-nitrophenyl sulfone (1), reduction of which gave 2-aminophenyl methyl sulfone (2).Treatment of 2-aminothiophenol (11) with t-butyl alcohol in aqueous sulfuric acid gave 2-aminophenyl t-butyl sulfide (12), which was acetylated to o-t-butylthio-acetanilide (13).Oxidation of the latter to o-t-butylsulfonyl-acetanilide (14) followed by hydrolysis led to 2-aminophenyl t-butyl sulfone (15).

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