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Tert-butyl thiophene-2-carboxylate is a chemical compound characterized by the molecular formula C11H14O2S. It is a butyl ester derivative of thiophene-2-carboxylic acid, featuring a tert-butyl group attached to the sulfur atom. tert-butyl thiophene-2-carboxylate is recognized for its strong odor and is classified as a flammable liquid, necessitating careful handling due to its potential hazardous properties. It serves as a versatile building block in organic synthesis and pharmaceutical research, contributing to the development of various pharmaceutical compounds and agrochemicals.

939-62-8

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939-62-8 Usage

Uses

Used in Organic Synthesis:
Tert-butyl thiophene-2-carboxylate is utilized as a key intermediate in organic synthesis for the creation of a range of chemical products. Its unique structure allows for various chemical reactions, facilitating the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, tert-butyl thiophene-2-carboxylate is employed as a building block for the synthesis of pharmaceutical compounds. Its presence in the molecular structure can influence the pharmacological properties of the final product, making it a valuable component in drug discovery and development.
Used in Agrochemicals:
Tert-butyl thiophene-2-carboxylate also finds application in the agrochemical sector, where it is used as a precursor in the synthesis of various agrochemicals. Its role in this industry is crucial for the development of effective crop protection agents and other agricultural products.
Safety Precautions:
Given its strong odor and flammable nature, it is essential to handle tert-butyl thiophene-2-carboxylate with care. Proper safety measures, including the use of personal protective equipment and adherence to safety protocols, should be implemented during its storage, transportation, and use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 939-62-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,3 and 9 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 939-62:
(5*9)+(4*3)+(3*9)+(2*6)+(1*2)=98
98 % 10 = 8
So 939-62-8 is a valid CAS Registry Number.

939-62-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl thiophene-2-carboxylate

1.2 Other means of identification

Product number -
Other names tert-butyl 2-thiophenecarboxylate

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:939-62-8 SDS

939-62-8Relevant academic research and scientific papers

Ag(I)-Catalyzed C-H Carboxylation of Thiophene Derivatives

Lee, Mijung,Hwang, Young Kyu,Kwak, Jaesung

supporting information, p. 3136 - 3144 (2021/09/30)

CO2utilization is an attractive aspect as it allows the direct conversion of CO2into valuable chemicals. In this regard, direct incorporation of CO2into the C-H bond of heteroaromatic compounds is important due to the ubiquitous structural motifs of the heteroaromatic carboxylic acids. Herein, we report the Ag-catalyzed C-H carboxylation of thiophene derivatives. This new catalytic system involving a phosphine ligand and lithiumtert-butoxide enables the direct carboxylation of thiophenes under mild reaction conditions. Experimental studies revealed that the use oftert-butyl alkoxide is critical for the exergonic formation of an arylsilver intermediate, and the results were further supported by density functional theory calculations.

Desulfurization of Diaryl(heteroaryl) Sulfoxides with Benzyne

Chen, De-Li,Sun, Yan,Chen, Mengyuan,Li, Xiaojin,Zhang, Lei,Huang, Xin,Bai, Yihui,Luo, Fang,Peng, Bo

supporting information, (2019/06/13)

Two benzyne-enabled desulfurization reactions have been demonstrated which convert diaryl sulfoxides and heteroaryl sulfoxides to biaryls and desulfurized heteroarenes, respectively. The reaction accessing biaryls tolerates a variety of functional groups, such as halides, pseudohalides, and carbonyls. Mechanistic studies reveal that both reactions proceed via a common assembly process but divergent disassemblies of the generated tetraaryl(heteroaryl) sulfuranes.

An efficient method for the preparation of: Tert -butyl esters from benzyl cyanide and tert -butyl hydroperoxide under the metal free condition

Chen, Xiuling,Li, Yan,Wu, Minghu,Guo, Haibing,Jiang, Longqiang,Wang, Jian,Sun, Shaofa

, p. 102023 - 102027 (2016/11/09)

A novel protocol to synthesize tert-butyl esters from benzyl cyanides and tert-butyl hydroperoxide has been successfully achieved. In the presence of tert-butyl hydroperoxide, Csp3-H bond oxidation, C-CN bond cleavage and C-O bond formation proceeded smoothly in one pot under the metal-free condition.

Intramolecular rearrangement of α-azidoperoxides: An efficient synthesis of tert-butyl esters

Pramanik, Suman,Reddy, Reddy Rajasekhar,Ghorai, Prasanta

, p. 1393 - 1396 (2015/03/30)

An unprecedented intramolecular rearrangement of α-azidoperoxides, promoted by simple organic base to provide tert-butyl esters, has been presented. Further, a one-pot methodology consisting of in situ generation of the α-azidoperoxides from corresponding aldehydes followed by base-promoted rearrangement to obtain the desired ester has also been executed. Relevant mechanistic studies, to provide the proof for intramolecular alkoxy transfer, are investigated.

A mesoporous organosilica grafted Pd catalyst (MOG-Pd) for efficient base free and phosphine free synthesis of tertiary butyl esters via tertiary-butoxycarbonylation of boronic acid derivatives without using carbon monoxide

Ghosh, Kajari,Molla, Rostam Ali,Iqubal, Md. Asif,Islam

, p. 3540 - 3551 (2015/06/25)

A mesoporous organosilica grafted palladium(ii) catalyst was synthesized and characterized using various spectroscopic techniques. Its catalytic activity was evaluated for the synthesis of tertiary butyl esters via tert-butoxycarbonylation of boronic acid

Copper-catalyzed oxidative esterification of aldehydes with dialkyl peroxides: Efficient synthesis of esters of tertiary alcohols

Zhu, Yefeng,Wei, Yunyang

, p. 13668 - 13670 (2013/08/23)

Copper-catalyzed oxidative esterification of aldehydes with dialkyl peroxides has been developed. This protocol affords a novel approach for the synthesis of carboxylic esters of tertiary alcohols under mild conditions. Depending on the catalyst system, a variety of tertiary esters were produced in good to excellent yields.

An efficient method for the preparation of tertiary esters by palladium-catalyzed alkoxycarbonylation of aryl bromides

Xin, Zhuo,Gogsig, Thomas M.,Lindhardt, Anders T.,Skrydstrup, Troels

supporting information; experimental part, p. 284 - 287 (2012/02/16)

The palladium-catalyzed alkoxycarbonylation of aryl bromides is described for the efficient preparation of tertiary esters. The protocol proved compatible with a wide variety of functionalized (hetero)aromatic bromides, as well as several different sterically hindered tertiary alcohols, affording the alkoxycarbonylated products in high yields. Finally, the formation of aromatic trityl esters is discussed.

GAS-PHASE PYROLYTIC REACTIONS. PART 3. HAMMETT ρ CONSTANTS OF GAS-PHASE ELIMINATIONS OF ALKYLARYLCARBOXYLATE AND ETHANOATE ESTERS AND THEIR CORRELATION WITH SUBSTRATE MOLECULAR FRAMEWORK

Al-Awadi, Nouria A.,Al-Bashir, Rasha F.,ElDusouqui, Osman M. E.

, p. 2903 - 2910 (2007/10/02)

The kinetics of the gas-phase thermal elimination of seven tert-butyl (hetero)arylcarboxylate esters (GCO2But) were measured over a temperature range 50 K; the groups were the phenyl, 3- and 4-pyridyl, 2- and 3-furyl, and 2- and 3-thienyl moieties.The reactions were homogeneous and unimolecular with log A/s-1 scaling 12.45 +/- 0.44, and with an entropy of activation uniformly negative and small.The kinetics obeyed a first-order rate equation, and at 600 K the rate coefficients (103k/s-1) of the esters, in the order given above, were: 54.1, 85.3, 120.5, 76.9, 43.2, 86.3 and 46.1, respectively.Hammett correlation of the present kinetic data with the literature ρ0 - values of the given substituents gave a reaction ρ constant compatible with the ethanoate molecular frame rather than with the carboxylate structure.The physical constants of five new t-butyl heteroarylcarboxylate esters are also described.

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