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

  • CAS No. 1004294-79-4

  • Cat. No. CS-0097110
  • Molecule weight278.11
  • Purity≥97%
  • MDL No.MFCD12546597

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

Methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate|CS-0097110

Structure of 1004294-79-4

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General Information

  • CAS No. 1004294-79-4
  • Cat. No. CS-0097110
  • Purity ≥97%
  • MDL No. MFCD12546597
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉BO₅
  • Molecular Weight 278.11
  • Synonym(s) Benzoic acid, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
  • SMILES O=C(OC)C1=CC(B2OC(C)(C)C(C)(C)O2)=CC(O)=C1

Synthesis

  • Route1

    References

    • ALMIRALL, S.A.; ERRA SOLA, Montserrat; CARRASCAL RIERA, Marta; TALTAVULL MOLL, Joan; CATURLA JAVALOYES, Juan Francisco; BERNAL ANCHUELA, Francisco Javier; PAGES SANTACANA, Lluis Miquel; MIR CEPEDA, Marta; CASALS COLL, Gaspar; HERNANDEZ OLASAGARRE, Maria Begoña Patent: WO2014/60432 A1, 2014 ; Location in patent: Page/Page column 130; 131 ;

Safety Information

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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   64.99
  • LogP   1.478
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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