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2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)is a complex organic chemical compound characterized by a cyclohexadienone ring with various functional groups. It features an acetyloxy group, which is a carbonyl group bonded to an oxygen atom, and tetramethyl and phenylthio groups, which are alkyl and thioether groups, respectively. This unique structure and the presence of diverse functional groups make it a versatile compound for various chemical reactions and synthesis processes.

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  • 194720-36-0 Structure
  • Basic information

    1. Product Name: 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)-
    2. Synonyms:
    3. CAS NO:194720-36-0
    4. Molecular Formula: C18H20O3S
    5. Molecular Weight: 316.421
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 194720-36-0.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: 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)-(194720-36-0)
    11. EPA Substance Registry System: 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)-(194720-36-0)
  • 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: 194720-36-0(Hazardous Substances Data)

194720-36-0 Usage

Uses

Used in Chemical Synthesis:
2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)is used as a key intermediate in the synthesis of various organic compounds. Its unique structure and functional groups allow for a wide range of chemical reactions, making it a valuable building block in the development of new molecules with potential applications in various industries.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)is used as a starting material for the synthesis of drug candidates. Its diverse functional groups can be modified to create new compounds with potential therapeutic properties, contributing to the discovery of novel drugs for the treatment of various diseases.
Used in Agrochemical Industry:
2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)is also utilized in the agrochemical industry for the synthesis of active ingredients in pesticides and herbicides. Its unique structure and functional groups can be tailored to create compounds with specific modes of action, enhancing crop protection and yield.
Used in Material Science:
In the field of material science, 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)is employed in the development of advanced materials with unique properties. Its versatile structure and functional groups can be incorporated into polymers, coatings, and other materials to improve their performance, durability, and functionality.
Overall, the diverse applications of 2,5-Cyclohexadien-1-one, 4-(acetyloxy)-2,3,5,6-tetramethyl-4-(phenylthio)across various industries highlight its potential as a valuable compound in chemical research and development. Its unique structure and functional groups make it a promising candidate for the synthesis of new molecules with potential applications in pharmaceuticals, agrochemicals, material science, and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 194720-36-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,4,7,2 and 0 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 194720-36:
(8*1)+(7*9)+(6*4)+(5*7)+(4*2)+(3*0)+(2*3)+(1*6)=150
150 % 10 = 0
So 194720-36-0 is a valid CAS Registry Number.

194720-36-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,5,6-tetramethyl-4-oxo-1-phenylthiocyclohexa-2,5-dienyl acetate

1.2 Other means of identification

Product number -
Other names Acetic acid 2,3,5,6-tetramethyl-4-oxo-1-phenylsulfanyl-cyclohexa-2,5-dienyl 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:194720-36-0 SDS

194720-36-0Relevant articles and documents

Facile and efficient sulfenylation method using quinone mono-O,S-acetals under mild conditions

Matsugi,Murata,Gotanda,Nambu,Anilkumar,Matsumoto,Kita

, p. 2434 - 2441 (2007/10/03)

A novel sulfenylation method induced by aromatization of quinone mono-O,S-acetals is described. These sulfenylation reagents readily react with silyl enolethers or electron rich aromatic compounds to give sulfenylation products under mild conditions. In particular, O,S-acetal 2j, which possesses a pentafluorophenylthio function, is the most effective reagent from the standpoint of the adaptability for various substrates.

A novel efficient sulfenylation method using quinone mono-O,S-acetals under mild conditions

Matsugi, Masato,Gotanda, Kentoku,Murata, Kenji,Kita, Yasuyuki

, p. 1387 - 1388 (2007/10/03)

A novel method for sulfenylation induced by aromatization of quinone mono-O,S-acetals is described.

Isolation of the quinone mono O,S-acetal intermediates of the aromatic pummerer-type rearrangement of p-sulfinylphenols with 1-ethoxyvinyl esters

Kita,Takeda,Matsugi,Iio,Gotanda,Murata,Akai

, p. 1529 - 1531 (2007/10/03)

A versatile synthetic building block and evidence for the mechanism of the Pummerer-type rearrangement have been obtained in the form of the acetal intermediate B, isolated in the reaction of p-sulfinylphenols 1 to p-quinones 2 induced by acid anhydrides. Thus, a method is now also available for the efficient preparation of quinone monoacetals under nonoxidative conditions.

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