Cas no 612833-37-1 (5-Cyano-2-methoxyphenylboronic acid)

5-Cyano-2-methoxyphenylboronic acid is a boronic acid derivative widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl compounds. Its electron-withdrawing cyano and electron-donating methoxy substituents enhance reactivity and selectivity in palladium-catalyzed transformations. This compound is particularly valuable in pharmaceutical and agrochemical research for constructing complex aromatic frameworks. It exhibits good stability under standard conditions and demonstrates compatibility with a range of functional groups. The boronic acid moiety facilitates efficient conjugation, while the substitution pattern allows for further derivatization, making it a versatile building block in organic synthesis and medicinal chemistry applications.
5-Cyano-2-methoxyphenylboronic acid structure
612833-37-1 structure
Product Name:5-Cyano-2-methoxyphenylboronic acid
CAS No:612833-37-1
MF:C8H8BNO3
MW:176.965022087097
MDL:MFCD06801691
CID:836009
PubChem ID:23005336
Update Time:2025-10-19

5-Cyano-2-methoxyphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (5-Cyano-2-methoxyphenyl)boronic acid
    • 5-Cyano-2-methoxyphenylboronic acid
    • Boronic acid, (5-cyano-2-methoxyphenyl)-
    • 2-methoxy-5-cyanophenylboronic acid
    • cyanomethoxyphenylboronicacid
    • Boronic acid, (5-cyano-2-methoxyphenyl)- (9CI)
    • LDZCPLGOLLHOON-UHFFFAOYSA-N
    • SBB089222
    • 5-cyano-2-methoxybenzeneboronic acid
    • 5-cyano-2-methoxy-benzeneboronic acid
    • AB30089
    • RP10723
    • J-501579
    • EN300-4282020
    • SY025303
    • DTXSID50629624
    • GC-0707
    • AKOS004119215
    • DB-400464
    • MFCD06801691
    • (5-Cyano-2-methoxyphenyl)boronicacid
    • 612833-37-1
    • SCHEMBL1303073
    • B-(5-Cyano-2-methoxyphenyl)boronic acid
    • (5-cyano-2-methoxyphenyl)boronic acid, AldrichCPR
    • CS-0038538
    • MDL： MFCD06801691
    • Inchi： 1S/C8H8BNO3/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-4,11-12H,1H3
    • InChI Key： LDZCPLGOLLHOON-UHFFFAOYSA-N
    • SMILES： O(C)C1C=CC(C#N)=CC=1B(O)O

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

Experimental Properties

  • Melting Point: 211-212°
  • Boiling Point: 412.4±55.0℃ at 760 mmHg
  • PSA: 73.48000
  • LogP: -0.75332

5-Cyano-2-methoxyphenylboronic acid Security Information

  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P280-P305+P351+P338
  • HazardClass：IRRITANT
  • Storage Condition：Inert atmosphere,2-8°C

5-Cyano-2-methoxyphenylboronic acid Customs Data

  • HS CODE：2931900090
  • Customs Data：

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

5-Cyano-2-methoxyphenylboronic acid Pricemore >>

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TRC
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5-Cyano-2-methoxyphenylboronic acid Production Method

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