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CS-W001157 4
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Methyl 4-chloro-3-(hydroxy((3-hydroxy-2,3-dimethylbutan-2-yl)oxy)boranyl)benzoate

  • CAS No. 710350-72-4

  • Cat. No. CS-0174064
  • Purity≥97%
  • MDL No.None

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

Methyl 4-chloro-3-(hydroxy((3-hydroxy-2,3-dimethylbutan-2-yl)oxy)boranyl)benzoate|CS-0174064

Structure of 710350-72-4

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General Information

  • CAS No. 710350-72-4
  • Cat. No. CS-0174064
  • 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) Methyl 4-chloro-3-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • SMILES O=C(C1=CC(B2OC(C)(C)C(C)(C)O2)=C(Cl)C=C1)OC

Synthesis

  • Route1

    References

    • NEUROCRINE BIOSCIENCES, INC. Patent: WO2008/124610 A1, 2008 ; Location in patent: Page/Page column 85 ; WO 2008/124610 A1
  • Route2

    References

    • 3-V BIOSCIENCES, INC.; OSLOB, Johan D.; MCDOWELL, Robert S.; JOHNSON, Russell; YANG, Hanbiao; EVANCHIK, Marc; ZAHARIA, Cristiana A.; CAI, Haiying; HU, Lily W. Patent: WO2014/8197 A1, 2014 ;

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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