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CS-W001157 4
Total: USD 88.00

3-Bromo-4-methylpentan-2-one

  • CAS No. 29585-01-1

  • Cat. No. CS-0450640
  • Purity≥98%
  • MDL No.None

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

3-Bromo-4-methylpentan-2-one|CS-0450640

Structure of 29585-01-1

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General Information

  • CAS No. 29585-01-1
  • Cat. No. CS-0450640
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁BrO
  • Molecular Weight 179.05
  • Synonym(s) 3-Bromo-4-methyl-pentan-2-one
  • SMILES CC(C)C(C(=O)C)Br

Synthesis

  • Route1
    • null|null
      108-10-1
    • ~%
    • 3-Bromo-4-methylpentan-2-one|CS-0450640
      29585-01-1

    References

    • Masuda, Naoyuki; Yamamoto, Osamu; Fujii, Masahiro; Ohgami, Tetsuro; Fujiyasu, Jiro; Kontani, Toru; Moritomo, Ayako; Orita, Masaya; Kurihara, Hiroyuki; Koga, Hironobu; Nakahara, Hideaki; Kageyama, Shunji; Ohta, Mitsuaki; Inoue, Hiroshi; Hatta, Toshifumi; Suzuki, Hiroshi; Sudo, Kenji; Shimizu, Yasuaki; Kodama, Eiichi; Matsuoka, Masao; Fujiwara, Masatoshi; Yokota, Tomoyuki; Shigeta, Shiro; Baba, Masanori Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 23 p. 6171 - 6182
  • Route2
    • null|null
      7732-18-5
    • null|null
      7726-95-6
    • null|null
      108-10-1
    • ~%
    • 1-Bromo-4-methylpentan-2-one|CS-0333315
      29585-02-2
    • 3-Bromo-4-methylpentan-2-one|CS-0450640
      29585-01-1

    References

    • Cardwell; Kilner Journal of the Chemical Society, 1951 , p. 2430,2440
  • Route3
    • null|null
      108-10-1
    • ~10%
    • 1-Bromo-4-methylpentan-2-one|CS-0333315
      29585-02-2
    • 3-Bromo-4-methylpentan-2-one|CS-0450640
      29585-01-1

    References

    • Das, Biswanath; Venkateswarlu, Katta; Mahender, Gurram; Mahender, Ibram Tetrahedron Letters, 2005 , vol. 46, # 17 p. 3041 - 3044

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.9949
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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