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CS-W001157 4
Total: USD 88.00

4,4-Di(methylmercapto)-3-buten-2-one

  • CAS No. 17649-86-4

  • Cat. No. CS-0074142
  • Molecule weight162.27
  • Purity≥97%
  • MDL No.MFCD21604100

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

4,4-Di(methylmercapto)-3-buten-2-one|CS-0074142

Structure of 17649-86-4

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General Information

  • CAS No. 17649-86-4
  • Cat. No. CS-0074142
  • Purity ≥97%
  • MDL No. MFCD21604100
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀OS₂
  • Molecular Weight 162.27
  • Synonym(s) 4,4-Bis(methylthio)but-3-en-2-one
  • SMILES O=C(C)C=C(SC)SC

Synthesis

  • Route1
    • null|null
      75-15-0
    • null|null
      67-64-1
    • ~71%
    • 4,4-Di(methylmercapto)-3-buten-2-one|CS-0074142
      17649-86-4

    References

    • BRISTOL-MYERS SQUIBB COMPANY; PURANDARE, Ashok V.; GREBINSKI, James W.; HART, Amy; INGHRIM, Jennifer; SCHROEDER, Gretchen; WAN, Honghe Patent: WO2011/28864 A1, 2011 ; Location in patent: Page/Page column 109 ; WO 2011/028864 A1
  • Route2

    References

    • Xu, Cong; Liu, Jingxin; Ming, Wenbo; Liu, Yingjie; Liu, Jun; Wang, Mang; Liu, Qun Chemistry - A European Journal, 2013 , vol. 19, # 28 p. 9104 - 9109
  • Route3
    • null|null
      5780-61-0
    • null|null
      5188-07-8
    • ~89%
    • 4,4-Di(methylmercapto)-3-buten-2-one|CS-0074142
      17649-86-4

    References

    • BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2003/103661 A1, 2003 ; Location in patent: Page 106-108 ; WO 03/103661 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3335
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H332-H335-H372-H410
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1428
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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