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1-(5-Methylthiophen-2-yl)ethan-1-one

  • CAS No. 13679-74-8

  • Cat. No. CS-W002097
  • Purity≥96%
  • MDL No.MFCD00014529

*For research and further manufacturing use only, not for direct human use.

1-(5-Methylthiophen-2-yl)ethan-1-one|CS-W002097

Structure of 13679-74-8

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General Information

  • CAS No. 13679-74-8
  • Cat. No. CS-W002097
  • Purity ≥96%
  • MDL No. MFCD00014529
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈OS
  • Molecular Weight None
  • Synonym(s) 2-Acetyl-5-methylthiophene
  • SMILES O=C(C)C1=CC=C(C)S1

Description

2-Acetyl-5-methylthiophene is a volatile organic compound formed during the reaction between L-cysteine and dihydroxyacetone in glycerine or triglyceride solvent system. It can be prepared by reacting 2-methylthiophene with acetic anhydride. 2-Acetyl-5-methylthiophene undergoes palladium-catalyzed cross-coupling reaction with aryl bromides to form C-4 arylated product. It reacts with 1,2-bis(5-formyl-2-methylthiophen-3-yl)cyclopentene via Aldol condensation to form a chalcone with photochromic property. The standard molar enthalpies of combustion, formation and vaporization of 2-acetyl-5-methylthiophene are 4341.9 1.8kJ/mol, 158.0 2.1kJ/mol and 62.0 2.6kJ/mol, respectively.2-Acetyl-5-methylthiophene may be used in the preparation of:2-ethyl-5-methylthiophene(5-methylthiophen-2-yl)glyoxal(2E)-1-(5-methylthiophen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-oneethyl 3-(5-methylthiophen-2-yl)-3-oxopropanoate

Synthesis

  • Route1
    • In-stock
      2-Methylthiophene|CS-W011331
      554-14-3
    • null|null
      75-36-5
    • ~97%
    • In-stock
      1-(5-Methylthiophen-2-yl)ethan-1-one|CS-W002097
      13679-74-8

    References

    • Altenhoener, Kai; Lamm, Jan-Hendrik; Mattay, Jochen European Journal of Organic Chemistry, 2010 , # 31 p. 6033 - 6037
  • Route2
    • In-stock
      2-Methylthiophene|CS-W011331
      554-14-3
    • null|null
      108-24-7
    • ~67%
    • In-stock
      1-(5-Methylthiophen-2-yl)ethan-1-one|CS-W002097
      13679-74-8

    References

    • SUMITOMO SEIKA CHEMICALS CO., LTD. Patent: EP1695972 A1, 2006 ; Location in patent: Page/Page column 7 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.25912
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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