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2-(prop-2-en-1-ylsulfanyl)benzoic acid, also known as 2-allylthiobenzoic acid, is a chemical compound with the molecular formula C10H10O2S. It features a benzene ring with a carboxylic acid group and a sulfanyl group attached to it. This white to light brown solid at room temperature possesses a distinctive odor and is an important building block in the synthesis of various pharmaceuticals.

17839-66-6

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17839-66-6 Usage

Uses

Used in Pharmaceutical Research:
2-(prop-2-en-1-ylsulfanyl)benzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals due to its unique chemical structure and reactivity. It contributes to the development of new drugs with potential therapeutic applications.
Used in Organic Synthesis:
As a versatile chemical compound, 2-(prop-2-en-1-ylsulfanyl)benzoic acid is used as a starting material or intermediate in the organic synthesis of dyes, perfumes, and other organic compounds. Its presence in these processes allows for the creation of a wide range of products with diverse applications.
Used in Dye Production:
2-(prop-2-en-1-ylsulfanyl)benzoic acid is utilized as an intermediate in the production of dyes, where its chemical properties enable the creation of colorants with specific characteristics for various industries.
Used in Perfume Formulation:
In the fragrance industry, 2-(prop-2-en-1-ylsulfanyl)benzoic acid serves as a component in the formulation of perfumes, leveraging its unique odor to contribute to the final scent profile of the product.

Check Digit Verification of cas no

The CAS Registry Mumber 17839-66-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,8,3 and 9 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 17839-66:
(7*1)+(6*7)+(5*8)+(4*3)+(3*9)+(2*6)+(1*6)=146
146 % 10 = 6
So 17839-66-6 is a valid CAS Registry Number.

17839-66-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-prop-2-enylsulfanylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-Allylmercapto-benzoesaeure

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:17839-66-6 SDS

17839-66-6Relevant academic research and scientific papers

DNA binding, antibacterial and antifungal activities of copper(II) complexes with some S-alkenyl derivatives of thiosalicylic acid

Tomovi?, Du?an Lj.,Bukonji?, Andriana M.,Jevti?, Verica V.,Ratkovi?, Zoran R.,Bogojeski, Jovana V.,?ekovi?, Ana,Radojevi?, Ivana D.,?omi?, Ljiljana R.,Novakovi?, Sla?ana B.,Bogdanovi?, Goran A.,Trifunovi?, Sre?ko R.,Radi?, Gordana P.,Cupara, Sne?ana

, p. 137 - 148 (2018)

The biological activities of two binuclear copper(II) complexes containing S-alkenyl derivatives of thiosalicylic acid are reported [alkenyl?=?propenyl (L1), isobutenyl (L2)]. The structure of the complex with the S-isobutenyl derivative (C2) was confirmed by single-crystal X-ray structure analysis, which revealed that the structure consists of centrosymmetric, dinuclear complex molecules [Cu2(S-i-butenyl-thiosal)4(DMSO)2] containing two Cu(II) centers bridged by four S-isobutyl-thiosalicylate ligands in a paddle-wheel type structure. The Cu(II) atom is situated in a distorted square-pyramidal environment formed by carboxylate oxygen atoms in the basal plane and a DMSO ligand in the axial position. The reactivities of the complexes toward guanosine-5′-monophosphate (5′-GMP) were investigated. Complex C2 ([Cu2(S-i-butenyl-thiosal)4(H2O)2]) reacted more rapidly with 5′-GMP than complex C1. The interactions of complexes C1 and C2 with calf thymus DNA (CT-DNA) were examined by absorption (UV–Vis) and emission spectral studies (ethidium bromide displacement studies), revealing good DNA interaction abilities. The antimicrobial activities of the free ligands and their complexes were tested by microdilution method, and both minimal inhibitory and microbicidal concentrations were determined. All the tested substances demonstrated selective and moderate antibacterial activity on gram-positive bacteria, but low antibacterial activity on gram-negative bacteria. Also, the tested substances demonstrated low antifungal activity.

New piperazine derivatives having anti-cancer effect, combination therapeutic effect with radiation, and anti-diabetic effect, and PPAR activity, and medical use thereof

-

Paragraph 0068; 0069; 0081; 0082, (2018/10/03)

The present invention relates to a novel piperazine derivative having an anti-cancer effect, a combination therapeutic effect with radiation, and an anti-diabetic effect, and to a medical use thereof. The piperazine derivatives are PPAR-γ ligand, and have

Cationic palladium(II)-catalyzed dehydrative nucleophilic substitutions of benzhydryl alcohols with electron-deficient benzenethiols in water

Hikawa, Hidemasa,Machino, Yumo,Toyomoto, Mariko,Kikkawa, Shoko,Azumaya, Isao

, p. 7038 - 7045 (2016/07/30)

An efficient direct nucleophilic substitution of benzhydryl alcohols with electron-deficient benzenethiols using cationic Pd(ii) catalysts as Lewis acids in water is reported. Atom economical and environmentally benign protocols afford S-benzylated produc

Organoselenium and DMAP co-catalysis: Regioselective synthesis of medium-sized halolactones and bromooxepanes from unactivated alkenes

Verma, Ajay,Jana, Sadhan,Prasad, Ch. Durga,Yadav, Abhimanyu,Kumar, Sangit

, p. 4179 - 4182 (2016/03/19)

A catalytic system consisting of bis(4-methoxyphenyl)selenide and 4-(dimethylamino)pyridine (DMAP) has been developed for the regioselective synthesis of medium-sized bromo/iodo lactones and bromooxepanes possessing high transannular strain. 77Se NMR, mass spectrometry and theoretical studies reveal that the reaction proceeds via a quaternary selenium intermediate.

Oxidative cyclization of alkenoic acids promoted by AgOAc

Carrillo-Arcos, Ulises A.,Rojas-Ocampo, Jonathan,Porcel, Susana

supporting information, p. 479 - 483 (2016/01/09)

Alkenoic acids derived from salicylic acid and analogues undergo an unexpected oxidative cyclization process triggered by AgOAc leading to 4H-benzo[d][1,3]dioxin-4-ones. The process is affected by the substitution on the aryl and the allyl units.

Dynamic kinetic resolution of allylic sulfoxides by Rh-catalyzed hydrogenation: A combined theoretical and experimental mechanistic study

Dornan, Peter K.,Kou, Kevin G. M.,Houk,Dong, Vy M.

supporting information, p. 291 - 298 (2014/01/23)

A dynamic kinetic resolution (DKR) of allylic sulfoxides has been demonstrated by combining the Mislow [2,3]-sigmatropic rearrangement with catalytic asymmetric hydrogenation. The efficiency of our DKR was optimized by using low pressures of hydrogen gas to decrease the rate of hydrogenation relative to the rate of sigmatropic rearrangement. Kinetic studies reveal that the rhodium complex acts as a dual-role catalyst and accelerates the substrate racemization while catalyzing olefin hydrogenation. Scrambling experiments and theoretical modeling support a novel mode of sulfoxide racemization which occurs via a rhodium π-allyl intermediate in polar solvents. In nonpolar solvents, however, the substrate racemization is primarily uncatalyzed. Computational studies suggest that the sulfoxide binds to rhodium via O-coordination throughout the catalytic cycle for hydrogenation.

Chemoselectivity and stereoselectivity of cyclisation of α-diazocarbonyls leading to oxygen and sulfur heterocycles catalysed by chiral rhodium copper catalysts

Ye, Tao,Garcia, Concepcion Fernandez,McKervey, M. Anthony

, p. 1373 - 1380 (2007/10/02)

Good levels of enantioselectivity have been achieved in intramiolecular C-H insertion reactions of α-diazocarbonyl compounds leading to six-membered oxygen heterocycles (chromanones) through the use of chiral rhodium(II) carboxylates as catalysts.Competition between C-H insertion and sigmatropic rearrangement, the latter leading to five-membered oxygen heterocycles (furanones), was observed with precursors containing a proximal O-allyl side chain.Whereas rhodium carboxylates produced C-H insertion products predominantly, a copper catalyst produced sigmatropic rearrangement products exclusively.A precursor with S-allyl side chain exhibited cyclisation via sigmatropic rearrangement with both copper and rhodium catalyst.

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