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Benzenesulfinic acid, ethyl ester, also known as ethyl phenylsulfone or ethyl benzenesulfonate, is an organic compound with the chemical formula C8H10O2S. It is a colorless to pale yellow liquid that is soluble in organic solvents and has a pungent odor. This ester is derived from benzenesulfinic acid and ethanol through an esterification reaction, where the hydroxyl group of the acid is replaced by an ethoxy group. Benzenesulfinic acid, ethyl ester, is used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. It is also employed as a reagent in organic synthesis and as a solvent in some chemical processes. Due to its reactivity and potential health hazards, it is essential to handle Benzenesulfinic acid, ethyl ester with proper safety measures.

1859-03-6

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1859-03-6 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1859-03-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,5 and 9 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1859-03:
(6*1)+(5*8)+(4*5)+(3*9)+(2*0)+(1*3)=96
96 % 10 = 6
So 1859-03-6 is a valid CAS Registry Number.

1859-03-6SDS

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 (+/-)-ethylbenzene sulfinate

1.2 Other means of identification

Product number -
Other names benzenesulfinic acid ethyl ester

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:1859-03-6 SDS

1859-03-6Relevant academic research and scientific papers

Photooxidation of Sulfenic Acid Derivatives. 5. The Reaction of Singlet Oxygen with Ethyl Phenyl Sulfenate

Clennan, Edward L.,Chen, Ming-Fang

, p. 6444 - 6447 (1995)

The reaction of ethyl phenylsulfenate ester with singlet oxygen was investigated.The total rate of disappearance of singlet oxygen induced by the sulfenate ester, kT, was measured by monitoring the quenching of the emission of singlet oxygen at 1270 nm.This result coupled with a measurement of the rate of product formation reveals that ethyl phenylsulfenate ester does not physically quench singlet oxygen.Quantitative trapping studies with Ph2S and Ph2SO suggest that only one intermediate is kinetically required on the reaction surface.This is in dramatic contrast to sulfides and sulfenamides which require two intermediates.The implications of these results are discussed.

Direct synthesis of sulfinic esters via ultrasound accelerated tandem reaction of thiols and alcohols with N-bromosuccinimide

Nguyen, Lan-Anh Thi,Le, Tri-Nghia,Duong, Cong-Thang,Vo, Chi-Tam,Duus, Fritz,Luu, Thi Xuan Thi

, p. 519 - 528 (2021/05/27)

The direct transformation of various thiols and simple alcohols with N-bromosuccinimide into sulfinic esters has been investigated by using different categories of base/acidic catalysts as well as co-solvents under varied reaction conditions. The reaction was found out to afford the sulfinic esters with high yields in the absence of catalysts, especially within the shorter time under the acceleration of ultrasonic irradiation than under the longer-lasting conventional stirring conditions.

NaHSO3-Mediated Direct Synthesis of Sulfinic Esters from Sulfonyl Hydrazides under Transition-Metal-Free Conditions

Zhang, Guofu,Fan, Qiankun,Wang, Huimin,Zhao, Yiyong,Ding, Chengrong

, p. 833 - 837 (2020/12/07)

We have developed a protocol for the NaHSO3-promoted esterification of sulfonyl hydrazides with alcohols for the synthesis of sulfinic esters. Various sulfonyl hydrazides could be converted to the corresponding sulfinic esters in good to high yields. The merits of this protocol include mild transition-metal-free reaction conditions, an inexpensive and available reagent, and operational simplicity. Controlled experiments reveal that this transformation probably undergoes via a radical pathway. (Figure presented.).

Preparation method of sulfinate compound

-

Paragraph 0059-0062, (2021/02/13)

The invention relates to a preparation method of a sulfinate compound shown as a formula (III), which comprises the following steps: by using a sulfonyl hydrazine compound shown as a formula (I) and alcohol shown as a formula (II) as raw materials, adding

Sulfoxide-Promoted Chlorination of Indoles and Electron-Rich Arenes with Chlorine as Nucleophile

Ji, Yuan-Zhao,Li, Hui-Jing,Wang, Yi-Ruo,Wu, Yan-Chao,Zhang, Zheng-Yan

supporting information, (2020/02/05)

An efficient chlorination of indoles and electron-rich arenes with chlorine anion as nucleophile is described. With the use of ethyl phenyl sulfoxide as the promoter, the reaction went smoothly under metal-free and mild conditions. Various indoles and electron-rich arenes are converted into the corresponding chlorinated compounds in moderate to excellent yields. A plausible interrupted Pummerer reaction mechanism was proposed without the oxidation of chloride anion. In addition, the byproduct thioether could be easily converted to the starting material sulfoxide just by a simple oxidation reaction. (Figure presented.).

Electrochemical synthesis of sulfinic esters from alcohols and thiophenols

He, Yang,Zhang, Jinli,Xu, Liang,Wei, Yu

supporting information, (2020/01/31)

Electrochemical oxidative couplings between S[sbnd]H and O[sbnd]H bonds are achieved herein directly from readily-available alcohols and thiophenols, affording a series of diverse sulfinic esters. This strategy can take advantage of 6 equivalents of alcohol, relative to thiophenol, to achieve moderate to good yields, without the assistance of any metallic catalysts, bases, and additional oxidants.

Metal- And oxidant-free electrochemical synthesis of sulfinic esters from thiols and alcohols

Ai, Chongren,Shen, Haiwei,Song, Dingguo,Li, Yujin,Yi, Xiao,Wang, Ze,Ling, Fei,Zhong, Weihui

supporting information, p. 5528 - 5531 (2019/10/22)

An efficient and eco-friendly electrochemical synthesis of various sulfinic esters from thiols and alcohols via sequential S-H/S bond cleavage and double S-O bond formation under mild reaction conditions has been developed. Stoichiometric oxidants, metal catalysts, activating agents and even added bases were avoided in this method, and the only by-product generated from this reaction was dihydrogen gas which could serve as a green source of energy. Various functional groups are compatible with this green protocol which can be easily conducted on a gram-scale.

Sodium Arenesulfinates-Involved Sulfinate Synthesis Revisited: Improved Synthesis and Revised Reaction Mechanism

Ji, Yuan-Zhao,Li, Hui-Jing,Zhang, Jin-Yu,Wu, Yan-Chao

, p. 1846 - 1855 (2019/02/14)

Reaction of alcohols with sodium arenesulfinates could afford either sulfones or sulfinates, and O-attack of sulfinate anions onto the in situ generated carbocation intermediates from alcohols was the previous proposed reaction mechanism in many syntheses of sulfinates. This concept, which is often used consciously or unconsciously, was revised herein by using isotopic labeling experiments and development of an improved sulfinate synthesis. The improved sulfinate synthetic protocol possesses many advantages such as a high sulfinate/sulfone selectivity, a broad substrate scope, metal-free, and mild reaction conditions. The revised reaction mechanism necessitates revision of many previous proposed reaction mechanisms in literatures.

Catalyst-free sulfenylation of indoles with sulfinic esters in ethanol

Yang, Xiuqin,Bao, Yishu,Dai, Zonghao,Zhou, Qingfa,Yang, Fulai

supporting information, p. 3727 - 3731 (2018/08/21)

A novel catalyst-free method for the synthesis of structurally diverse indole thioethers in moderate to excellent yields has been developed. In this reaction, sulfinic esters serve as new sulfur electrophiles.

Copper-Catalyzed Oxidative Reaction of β-Keto Sulfones with Alcohols via C?S Bond Cleavage: Reaction Development and Mechanism Study

Du, Bingnan,Wang, Wenmin,Wang, Yang,Qi, Zhenghang,Tian, Jiaqi,Zhou, Jie,Wang, Xiaochen,Han, Jianlin,Ma, Jing,Pan, Yi

supporting information, p. 404 - 408 (2018/02/21)

A Cu-catalyzed cascade oxidative radical process of β-keto sulfones with alcohols has been achieved by using oxygen as an oxidant. In this reaction, β-keto sulfones were converted into sulfinate esters under the oxidative conditions via cleavage of C?S bond. Experimental and computational studies demonstrate that a new pathway is involved in this reaction, which proceeds through the formation of the key four-coordinated CuII intermediate, O?O bond homolysis induced C?S bond cleavage and Cu-catalyzed esterification to form the final products. This reaction provides a new strategy to sulfonate esters and enriches the research content of C?S bond cleavage and transformations.

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