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CS-W001157 4
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1,2-Bis(4-(tert-butyl)phenyl)ethane-1,2-dione

  • CAS No. 76471-78-8

  • Cat. No. CS-0504197
  • Molecule weight322.44
  • Purity≥98%
  • MDL No.None

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

1,2-Bis(4-(tert-butyl)phenyl)ethane-1,2-dione|CS-0504197

Structure of 76471-78-8

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General Information

  • CAS No. 76471-78-8
  • Cat. No. CS-0504197
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₆O₂
  • Molecular Weight 322.44
  • Synonym(s) Ethanedione, bis[4-(1,1-dimethylethyl)phenyl]-
  • SMILES O=C(C1=CC=C(C(C)(C)C)C=C1)C(C2=CC=C(C(C)(C)C)C=C2)=O

Description

Belongs to the puridine class of the auxinic compounds similar to the hormone Indole-3-acetic acid (IAA)

Synthesis

  • Route1
    • 1,2-Bis(4-tert-butylphenyl)-2-hydroxyethan-1-one|CS-0247497
      77387-64-5
    • ~92%
    • In-stock
      1,2-Bis(4-(tert-butyl)phenyl)ethane-1,2-dione|CS-0504197
      76471-78-8

    References

    • Sodhi, Ravinderpal Kour; Paul, Satya Catalysis Letters, 2011 , vol. 141, # 4 p. 608 - 615
  • Route2

    References

    • Sadhukhan, Subir K.; Viala, Christine; Gourdon, Andre Synthesis, 2003 , # 10 p. 1521 - 1525
  • Route3
    • 4-(Tert-butyl)-N,N-dimethylbenzamide|CS-0601108
      15235-32-2
    • ~78%
    • In-stock
      1,2-Bis(4-(tert-butyl)phenyl)ethane-1,2-dione|CS-0504197
      76471-78-8

    References

    • Kumagai, Takashi; Anki, Tomohiro; Ebi, Takahiro; Konishi, Akihito; Matsumoto, Kouzou; Kurata, Hiroyuki; Kubo, Takashi; Katsumoto, Kenta; Kitamura, Chitoshi; Kawase, Takeshi Tetrahedron, 2010 , vol. 66, # 46 p. 8968 - 8973

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   5.3472
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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