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CS-W001157 4
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Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

  • CAS No. 603122-78-7

  • Cat. No. CS-0131185
  • Purity≥97%
  • MDL No.None

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

Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0131185

Structure of 603122-78-7

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General Information

  • CAS No. 603122-78-7
  • Cat. No. CS-0131185
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₈BClO₄
  • Molecular Weight 296.55
  • Synonym(s) Benzoic acid, 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • SMILES O=C(OC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C(Cl)=C1

Synthesis

  • Route1
    • In-stock
      Bis(pinacolato)diborane|CS-D1216
      73183-34-3
    • null|null
      155884-04-1
    • ~61%
    • In-stock
      Methyl 3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0131185
      603122-78-7

    References

    • Zhang, Lei; Sonaglia, Lorenzo; Stacey, Jason; Lautens, Mark Organic Letters, 2013 , vol. 15, # 9 p. 2128 - 2131
  • Route2

    References

    • Zhang, Lei; Sonaglia, Lorenzo; Stacey, Jason; Lautens, Mark Organic Letters, 2013 , vol. 15, # 9 p. 2128 - 2131

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

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   2.4258
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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