Cas no 911210-48-5 ((3-CYANO-4-METHOXYPHENYL)BORONIC ACID)

(3-CYANO-4-METHOXYPHENYL)BORONIC ACID structure
911210-48-5 structure
Product Name:(3-CYANO-4-METHOXYPHENYL)BORONIC ACID
CAS No:911210-48-5
MF:C8H8BNO3
MW:176.965022087097
MDL:MFCD10697415
CID:1960211
PubChem ID:55262359
Update Time:2025-08-05

(3-CYANO-4-METHOXYPHENYL)BORONIC ACID Chemical and Physical Properties

Names and Identifiers

    • (3-CYANO-4-METHOXYPHENYL)BORONIC ACID
    • 3-Cyano-4-methoxyphenylboronic acid
    • B-(3-Cyano-4-methoxyphenyl)boronic acid (ACI)
    • Boronic acid, (3-cyano-4-methoxyphenyl)- (9CI)
    • 4-Methoxy-3-cyanophenylboronic acid
    • B-(3-Cyano-4-methoxyphenyl)boronic acid
    • CS-0135265
    • 911210-48-5
    • SCHEMBL3274361
    • DTXSID601280649
    • STR11525
    • MFCD10697415
    • (3-cyano-4-methoxyphenyl)boronicacid
    • BBOOIZOUHWDLHU-UHFFFAOYSA-N
    • 3-Cyano-4-methoxyphenylboronicacid
    • EN300-216609
    • DB-122675
    • Z1198277518
    • D70817
    • AKOS006302271
    • AB59553
    • MDL: MFCD10697415
    • Inchi: 1S/C8H8BNO3/c1-13-8-3-2-7(9(11)12)4-6(8)5-10/h2-4,11-12H,1H3
    • InChI Key: BBOOIZOUHWDLHU-UHFFFAOYSA-N
    • SMILES: N#CC1C(OC)=CC=C(B(O)O)C=1

Computed Properties

  • Exact Mass: 177.06000
  • Monoisotopic Mass: 177.0597233g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 213
  • 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: 73.5?2

Experimental Properties

  • PSA: 73.48000
  • LogP: -0.75332

(3-CYANO-4-METHOXYPHENYL)BORONIC ACID Pricemore >>

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(3-CYANO-4-METHOXYPHENYL)BORONIC ACID Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate ,  Diboronic acid Catalysts: X-Phos ,  (SP-4-3)-[Dicyclohexyl[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphin… Solvents: Ethanol ;  16 h, 80 °C
Reference
Pd-Catalyzed Difluoromethylations of Aryl Boronic Acids, Halides, and Pseudohalides with ICF2H Generated ex Situ
Gedde, Oliver R. ; et al, Chemistry - A European Journal, 2022, 28(34),

(3-CYANO-4-METHOXYPHENYL)BORONIC ACID Raw materials

(3-CYANO-4-METHOXYPHENYL)BORONIC ACID Preparation Products

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