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Benzene, (2-butenylthio)-, also known as 2-Butenylbenzene, is a chemical compound with the molecular formula C10H12S. It is a colorless to pale yellow liquid characterized by a strong and unpleasant odor. Benzene, (2-butenylthio)is utilized in the manufacturing of various industrial products, including dyes, plastics, and synthetic rubber.

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  • 702-04-5 Structure
  • Basic information

    1. Product Name: Benzene, (2-butenylthio)-
    2. Synonyms:
    3. CAS NO:702-04-5
    4. Molecular Formula: C10H12S
    5. Molecular Weight: 164.271
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 702-04-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzene, (2-butenylthio)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzene, (2-butenylthio)-(702-04-5)
    11. EPA Substance Registry System: Benzene, (2-butenylthio)-(702-04-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 702-04-5(Hazardous Substances Data)

702-04-5 Usage

Uses

Used in Chemical Production Industry:
Benzene, (2-butenylthio)is used as a key intermediate in the production of dyes, plastics, and synthetic rubber. Its chemical properties make it suitable for these applications, contributing to the development of a wide range of products in the chemical industry.
Used in Dye Production:
Benzene, (2-butenylthio)is used as a precursor in the synthesis of various dyes. Its unique chemical structure allows for the creation of a diverse range of colorants, enhancing the color palette available for use in textiles, printing, and other industries.
Used in Plastics Production:
In the plastics industry, Benzene, (2-butenylthio)is employed as a building block for the development of new types of polymers. Its incorporation into the polymerization process can result in plastics with improved properties, such as increased durability and resistance to environmental factors.
Used in Synthetic Rubber Production:
Benzene, (2-butenylthio)is also utilized in the production of synthetic rubber. Its presence in the manufacturing process can lead to rubber with enhanced elasticity, strength, and resistance to wear, making it suitable for various applications, including automotive parts, industrial equipment, and consumer products.

Check Digit Verification of cas no

The CAS Registry Mumber 702-04-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 702-04:
(5*7)+(4*0)+(3*2)+(2*0)+(1*4)=45
45 % 10 = 5
So 702-04-5 is a valid CAS Registry Number.

702-04-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name but-2-enylsulfanylbenzene

1.2 Other means of identification

Product number -
Other names but-2-en-1-yl phenyl sulfide

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:702-04-5 SDS

702-04-5Relevant articles and documents

Asymmetric Enzymatic Synthesis of Allylic Amines: A Sigmatropic Rearrangement Strategy

Prier, Christopher K.,Hyster, Todd K.,Farwell, Christopher C.,Huang, Audrey,Arnold, Frances H.

supporting information, p. 4711 - 4715 (2016/04/19)

Sigmatropic rearrangements, while rare in biology, offer opportunities for the efficient and selective synthesis of complex chemical motifs. A "P411" serine-ligated variant of cytochrome P450BM3 has been engineered to initiate a sulfimidation/[2,3]-sigmatropic rearrangement sequence in whole E. coli cells, a non-natural function for any enzyme, providing access to enantioenriched, protected allylic amines. Five mutations in the enzyme substantially enhance its activity toward this new function, demonstrating the evolvability of the catalyst toward challenging nitrene transfer reactions. The evolved catalyst additionally performs the highly enantioselective imidation of non-allylic sulfides.

Expanding the horizon of intermolecular trapping of in situ generated α-oxo gold carbenes: Efficient oxidative union of allylic sulfides and terminal alkynes via C-C bond formation

Li, Jiabin,Ji, Kegong,Zheng, Renhua,Nelson, Jonathan,Zhang, Liming

supporting information, p. 4130 - 4133 (2014/04/03)

With a new P,S-bidentate phosphine as the ligand to gold(i), the α-oxo gold carbenes generated in situ via gold-catalyzed intermolecular oxidation of terminal alkynes were effectively trapped by various allylic sulfides, resulting in the formation of α-aryl(alkyl)thio-γ,δ- unsaturated ketones upon facile [2,3]sigmatropic rearrangements. This journal is the Partner Organisations 2014.

Catalytic activation of diazo compounds using electron-rich, defined iron complexes for carbene-transfer reactions

Holzwarth, Michael S.,Alt, Isabel,Plietker, Bernd

supporting information; experimental part, p. 5351 - 5354 (2012/07/14)

Carbene transfer: The electron-rich iron complex Bu4N[Fe(CO) 3(NO)] efficiently catalyzes different carbene-transfer reactions. Various diazo compounds can be used. The high stability of the employed iron complexes is demonstrated by the generation of the diazo reagent in situ and a sequential iron-catalyzed allylic sulfenylation/Doyle-Kirmse reaction. Copyright

Catalyst-free imidation of allyl sulfides with chloramine-T and subsequent [2,3]-sigmatropic rearrangement

Jiang, Yubo,Mo, Fanyang,Qiu, Di,Kuang, Chunxiang,Zhang, Yan,Wang, Jianbo

, p. 2029 - 2035 (2012/11/07)

A facile synthesis of various allyl sulfonamides based on imidation of allyl sulfides with chloramine-T and subsequent [2,3]-sigmatropic rearrangement has been achieved without metal catalysts. The reaction completes smoothly within 10 min, providing excellent yields in environment friendly solvent of alcohol. Functional groups such as bromine, hydroxyl, protected amido and aldehyde are tolerant under this condition.

Regio- and enantioselective iridium-catalyzed allylation of thiophenol: Synthesis of enantiopure allyl phenyl sulfides

Zheng, Shengcai,Gao, Ning,Liu, Wei,Liu, Dongge,Zhao, Xiaoming,Cohen, Theodore

supporting information; experimental part, p. 4454 - 4457 (2010/11/19)

A highly regio- and enantioselective allylic alkylation of sodium thiophenoxide has been realized by [Ir(COD)Cl]2/phosphoramidite along with CsF as an additive, producing highly enantioenriched allyl phenyl sulfide compounds with up to 99% ee.

Silylene transfer to allylic sulfides: Formation of substituted silacyclobutanes

Ager, Bryan J.,Bourque, Laura E.,Buchner, Kay M.,Woerpel

supporting information; experimental part, p. 5729 - 5732 (2010/11/04)

Silylene transfer to allylic sulfides results in a formal 1,2-sulfide migration. The rearrangement yields substituted silacyclobutanes, not the expected silacyclopropanes. The silacyclobutanes were elaborated by insertions of carbonyl compounds selectively into one carbon-silicon bond. A mechanism for the 1,2-sulfide migration is proposed involving an episulfonium ion intermediate.

Fast ruthenium-catalysed allylation of thiols by using allyl alcohols as substrates

Zaitsev, Alexey B.,Caldwell, Helen F.,Pregosin, Paul S.,Veiros, Luis F.

scheme or table, p. 6468 - 6477 (2010/02/28)

The allylation of aromatic and aliphatic thiols, by using allyl alcohols as substrates, requires only minutes at ambient temperature with either a Ru Iv catalyst, [Ru(Cp*)(n3CH5)(CH 3CN)2](PF6)2 (2; Cp* = pentamethylcyclopentadienyl) or a combination of [Ru(Cp*)(CH 3CN)3](PF6) and camphor sulfonic acid. Quantitative conversion is normal and the catalyst possesses high functional-group tolerance. The use of [Ru(Cp*)(CH3CN) 3](PF6) alone affords poor results. A comparison is made to the results from catalytic runs based on the use of carbonates rather than alcohols, by using 2 as the catalyst, and it is shown that the products from the alcohols are formed faster, so there is no advantage in using a carbonate substrate. The observed branched-to-linear (b/1) ratios when using substituted alcohols decrease with time suggesting that the catalysts isomerise the products. A new methodology from which one can select the desired isomeric product is proposed. DFT calculations and NMR spectroscopic measurements, by using an arene sulfonic acid as co-catalyst, suggest that 6-complexes are not relevant for the catalytic system. Moreover, the DFT results indicate that l)any rf-complexes from the acids RC6H4SO 3H result from deprotonation of the acid, 2) complexation of the thiol, via the deprotonated sulfur atom, is preferred over complexation of the O atom of the sulfonate, RC6H4SO3and 3) a sulfonate O-atom complex will be difficult to detect.

Mechanical stirring speed in water/hexane biphasic catalyst controls regioselectivity of Pd-catalyzed allylation reaction

Komiya, Sanshiro,Sako, Akari,Kosuge, Hirofumi,Hirano, Masafumi,Komine, Nobuyuki

, p. 640 - 641 (2008/12/21)

Vigorous mechanical mixing of the water/hexane biphasic Pd-catalyzed allylation of benzenethiol gave sterically congested allyl sulfides, due to high reactivity of the enforced orientation of the η1-allylpalladium intermediate at the solvent in

Selective allylation of arenethiols using water-soluble palladium complex catalyst in recyclable water/hexane biphasic media

Komine, Nobuyuki,Sako, Akari,Hirahara, Shin-Ya,Hirano, Masafumi,Komiya, Sanshiro

, p. 246 - 247 (2007/10/03)

Allylation of arenethiols by allylic alcohol with sterically hindered carbon of the allylic moiety is smoothly catalyzed by Pd(OAc)2/TPPTS in biphasic water/hexane media under ambient conditions. The catalyst water layer can be repeatedly reuse

Low pressure hydrogenation of unsaturated sulphides with homogeneous and heterogeneous ruthenium catalysts

Cere, Vanda,Massaccesi, Franco,Pollicino, Salvatore,Ricci, Alfredo

, p. 899 - 907 (2007/10/03)

Ru2O·nH2O and [Ru3O(AcO)6(H2O)3]+AcO- were examined for catalytic activity in the hydrogenation of a series of unsaturated sulphides under heterogeneous and homogeneous conditions, respectively. By the appropriate combination of these two methodologies, a number of saturated sulphides could be synthesized in satisfactory to good yields, thus minimizing side reactions.

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