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CS-W001157 4
Total: USD 88.00

(2,4-Dichloro-6-hydroxyphenyl)boronic acid

  • CAS No. 1028332-22-0

  • Cat. No. CS-0312378
  • Purity≥97%
  • MDL No.MFCD12031243

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

(2,4-Dichloro-6-hydroxyphenyl)boronic acid|CS-0312378

Structure of 1028332-22-0

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General Information

  • CAS No. 1028332-22-0
  • Cat. No. CS-0312378
  • Purity ≥97%
  • MDL No. MFCD12031243
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅BCl₂O₃
  • Molecular Weight 206.82
  • Synonym(s) 2,4-DICHLORO-6-HYDROXYPHENYLBORONIC ACID
  • SMILES OC1=C(B(O)O)C(Cl)=CC(Cl)=C1

Synthesis

  • Route1
    • 2-(2,4-Dichloro-6-(ethoxymethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-0343522
      1028332-21-9
    • ~77%
    • (2,4-Dichloro-6-hydroxyphenyl)boronic acid|CS-0312378
      1028332-22-0

    References

    • Pfizer Inc Patent: US2010/41681 A1, 2010 ; Location in patent: Page/Page column 20-21 ;
  • Route2

    References

    • Zehnder, Luke; Bennett, Michael; Meng, Jerry; Huang, Buwen; Ninkovic, Sacha; Wang, Fen; Braganza, John; Tatlock, John; Jewell, Tanya; Zhou, Joe Zhongxiang; Burke, Ben; Wang, Jeff; Maegley, Karen; Mehta, Pramod P.; Yin, Min-Jean; Gajiwala, Ketan S.; Hickey, Michael J.; Yamazaki, Shinji; Smith, Evan; Kang, Ping; Sistla, Anand; Dovalsantos, Elena; Gehring, Michael R.; Kania, Robert; Wythes, Martin; Kung, Pei-Pei Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3368 - 3385
  • Route3
    • 3,5-Dichloro-2-iodophenol|CS-0191856
      1028332-19-5
    • ~%
    • (2,4-Dichloro-6-hydroxyphenyl)boronic acid|CS-0312378
      1028332-22-0

    References

    • Zehnder, Luke; Bennett, Michael; Meng, Jerry; Huang, Buwen; Ninkovic, Sacha; Wang, Fen; Braganza, John; Tatlock, John; Jewell, Tanya; Zhou, Joe Zhongxiang; Burke, Ben; Wang, Jeff; Maegley, Karen; Mehta, Pramod P.; Yin, Min-Jean; Gajiwala, Ketan S.; Hickey, Michael J.; Yamazaki, Shinji; Smith, Evan; Kang, Ping; Sistla, Anand; Dovalsantos, Elena; Gehring, Michael R.; Kania, Robert; Wythes, Martin; Kung, Pei-Pei Journal of Medicinal Chemistry, 2011 , vol. 54, # 9 p. 3368 - 3385

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.69
  • LogP   0.3788
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   1

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