Cas no 919355-30-9 (3,6-Difluoro-2-methoxyphenylboronic Acid)

3,6-Difluoro-2-methoxyphenylboronic Acid structure
919355-30-9 structure
Product Name:3,6-Difluoro-2-methoxyphenylboronic Acid
CAS No:919355-30-9
MF:C7H7BF2O3
MW:187.936489343643
MDL:MFCD11856009
CID:857745
PubChem ID:16094232
Update Time:2024-12-09

3,6-Difluoro-2-methoxyphenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (3,6-Difluoro-2-methoxyphenyl)boronic acid
    • 3,6-DIFLUORO-2-METHOXYBENZENEBORONIC ACID
    • 3,6-Difluoro-2-methoxyphenylboronic acid
    • B-(3,6-Difluoro-2-methoxyphenyl)boronic acid (ACI)
    • (3,6-Difluoro-2-methoxyphenyl)boronicacid
    • MFCD11856009
    • (3,6-Difluoro-2-methoxy-phenyl)boronic acid
    • DB-344652
    • CS-0133825
    • AKOS006344039
    • 919355-30-9
    • SCHEMBL14120431
    • AS-39643
    • DTXSID20582373
    • 3,6-Difluoro-2-methoxyphenylboronic Acid
    • MDL: MFCD11856009
    • Inchi: 1S/C7H7BF2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3,11-12H,1H3
    • InChI Key: AXJIPGDXAIMBDX-UHFFFAOYSA-N
    • SMILES: FC1C(OC)=C(B(O)O)C(F)=CC=1

Computed Properties

  • Exact Mass: 188.04600
  • Monoisotopic Mass: 188.0456306g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • PSA: 49.69000
  • LogP: -0.34680

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3,6-Difluoro-2-methoxyphenylboronic Acid Production Method

Production Method 1

Reaction Conditions
Reference
Small molecule inhibitors of KRAS G12C mutant
, United States, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane ;  15 min, -70 °C
1.2 Reagents: Triethyl borate ;  15 min, rt
1.3 Reagents: Sulfuric acid Solvents: Water ;  rt
Reference
Long-range effects in the metalation/boronation of functionalized 1,4-dihalobenzenes
Lulinski, Sergiusz; Serwatowski, Janusz; Zaczek, Anna, European Journal of Organic Chemistry, 2006, (22), 5167-5173

3,6-Difluoro-2-methoxyphenylboronic Acid Raw materials

3,6-Difluoro-2-methoxyphenylboronic Acid Preparation Products

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