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Methyl 3-(4-nitrophenyl)sulfanylpropanoate is a chemical compound with the molecular formula C10H11NO5S. It is an organic ester derived from 3-(4-nitrophenyl)sulfanylpropanoic acid, where the carboxylic acid group is esterified with methanol. methyl 3-(4-nitrophenyl)sulfanylpropanoate features a 4-nitrophenyl group attached to a propanesulfanyl (sulfanylpropane) chain, which is further esterified with a methyl group. It is a yellowish solid and is used in the synthesis of various pharmaceuticals and agrochemicals due to its potential reactivity and functional group diversity. The presence of the nitro group and the sulfanyl group makes it a versatile intermediate in organic synthesis, particularly in the preparation of compounds with potential biological activity.

7597-47-9

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7597-47-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 7597-47-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,5,9 and 7 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 7597-47:
(6*7)+(5*5)+(4*9)+(3*7)+(2*4)+(1*7)=139
139 % 10 = 9
So 7597-47-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO4S/c1-15-10(12)6-7-16-9-4-2-8(3-5-9)11(13)14/h2-5H,6-7H2,1H3

7597-47-9SDS

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 methyl 3-(4-nitrophenyl)sulfanylpropanoate

1.2 Other means of identification

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Other names -

1.3 Recommended use of the chemical and restrictions on use

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

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More Details:7597-47-9 SDS

7597-47-9Relevant academic research and scientific papers

Transition Metal-Free C-H Thiolation via Sulfonium Salts Using β-Sulfinylesters as the Sulfur Source

Chen, Yanhui,Wen, Si,Tian, Qingyu,Zhang, Yuqing,Cheng, Guolin

supporting information, p. 7905 - 7909 (2021/10/20)

We disclose a direct C(sp)-, C(sp2)-, and C(sp3)-H thiolation reaction using β-sulfinylesters as the versatile sulfur source. The key step of this protocol is chemoselective C-S bond cleavage of the sulfonium salts that are formed in situ from the corresponding alkenes, alkynes, and 1,3-dicarboxyl compounds with β-sulfinylesters. The successful capture of the acrylate byproduct supports a retro-Michael reaction mechanism.

Zinc complexes supported by pyridine-: N -oxide ligands: Synthesis, structures and catalytic Michael addition reactions

Chen, Ze-Wen,He, Piao,Liu, Chao,Mo, Xiu-Fang,Tong, Hai-Xia,Xiong, Chang-Feng,Yi, Xiao-Yi

, p. 12365 - 12371 (2020/10/02)

New dipyridylpyrrole N-oxide ligands HL1 and HL2 are designed and synthesized via oxidation of 2-(5-(pyridin-2-yl)-1H-pyrrol-2-yl)pyridine (Hdpp) by using 3-chloroperbenzoic acid (m-CPBA) in CH2Cl2. The treatment of ZnEt2 with two equiv. of HL1 and HL2 af

C-S coupling with nitro group as leaving group via simple inorganic salt catalysis

Xuan, Maojie,Lu, Chunlei,Lin, Bo-Lin

supporting information, (2019/08/26)

An efficient and practical synthetic protocol to synthesize nonsymmetrical aryl thioethers by nucleophilic aromatic substitution (SNAr) reaction of nitroarenes by thiols with potassium phosphate as the catalyst is described. Various moderate to strong electron-withdrawing functional groups are tolerated by the system to provide thioethers in a good to excellent yields. We also showed that the present method allows access to 3 drug examples in a short reaction time. Finally, mechanistic studies suggest that the reaction may form the classic Meisenheimer complex through a two-step addition-elimination mechanism.

Microwave-Assisted Pd-Catalyzed Desulfitative C-S Coupling of Arylsulfinate Metal Salts and Alkanethiols

Li, Junchen,Bi, Xiaojing,Wang, Hongmei,Xiao, Junhua

, p. 1873 - 1881 (2015/11/02)

This paper reports a palladium-catalyzed C-S coupling of arylsulfinate metal salts and alkanethiols via liberation of sulfur dioxide. The use of PdCl2 as the catalyst in combination with AgNO3 as the oxidant under microwave irradiation results in the synthetically and biologically important aryl alkyl sulfides. A variety of arylsulfinate metal salts, such as sodium, potassium, lithium, silver, zinc, and copper salts, are tolerated well in this reaction.

Borax as an efficient metal-free catalyst for hetero-Michael reactions in an aqueous medium

Hussain, Sahid,Bharadwaj, Saitanya K.,Chaudhuri, Mihir K.,Kalita, Harjyoti

, p. 374 - 378 (2007/10/03)

Borax, a naturally occurring material, very efficiently catalyzed the conjugate addition of thiols, dithiols and amines to α,β-unsaturated ketones, nitriles, amides, aldehydes and esters in an aqueous medium to afford the corresponding Michael adducts in good yields at room temperature. Recycling of the catalyst and scaling up of the reactions are important attributes of this catalysis. The reactions of thiols and dithiols were relatively more facile than those of the corresponding amines. Wiley-VCH Verlag GmbH & Co. KGaA, 2007.

Biocatalytic Resolutions of Sulfinylalkanoates: A Facile Route to Optically Active Sulfoxides

Burgess, Kevin,Henderson, Ian,Ho, Kwok-Kan

, p. 1290 - 1295 (2007/10/02)

Two methods are presented for kinetic resolutions of compounds containing ester and sulfoxide functionalities (sulfinylalkanoates).In the first a crude lipase preparation from Pseudomonas sp. (K 10) mediates enantioselective hydrolysis of these esters in

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