Cas no 956229-73-5 (2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester)

2-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester is a boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions due to its stability and reactivity. The pinacol ester group enhances shelf life and handling by protecting the boronic acid moiety from protodeboronation. The N,N-dimethylaminocarbonyl substituent further modulates reactivity and solubility, making it suitable for diverse synthetic applications. This compound is particularly valuable in pharmaceutical and agrochemical synthesis, where controlled coupling under mild conditions is essential. Its crystalline form ensures consistent purity, while its compatibility with various catalysts and substrates broadens its utility in complex molecular constructions.
2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester structure
956229-73-5 structure
Product Name:2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester
CAS No:956229-73-5
MF:C15H22BNO3
MW:275.151084423065
MDL:MFCD07368236
CID:802672
PubChem ID:44118823
Update Time:2025-06-07

2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • N,N-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
    • 2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester
    • Benzamide,N,N-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • 2-(N,N-Dimethylcarboxamido)phenylboronic acid pinacol ester
    • DTXSID90657007
    • F87586
    • AKOS015999389
    • MFCD07368236
    • 956229-73-5
    • AB31967
    • BS-24597
    • CS-0175668
    • 2-(Dimethylcarbamoyl)phenylboronic Acid Pinacol Ester
    • 2-(N,N-DIMETHYLCARBOXAMIDO)BENZENEBORONIC ACID PINACOL ESTER
    • A858981
    • SY064810
    • DB-354981
    • 2-(N,N-Dimethylaminocarbonyl)phenylboronic acid pinacol ester
    • MDL： MFCD07368236
    • Inchi： 1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-10-8-7-9-11(12)13(18)17(5)6/h7-10H,1-6H3
    • InChI Key： XJEYOVRUJJZKGI-UHFFFAOYSA-N
    • SMILES： O1B(C2C=CC=CC=2C(N(C)C)=O)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 275.16900
  • Monoisotopic Mass: 275.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 365
  • 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: 38.8A^2

Experimental Properties

  • PSA: 38.77000
  • LogP: 1.68760

2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester Security Information

  • Hazardous Material Identification： Xi

2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester
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Frontier Specialty Chemicals
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Frontier Specialty Chemicals
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2-(N,N-Dimethylaminocarbonyl)phenylboronic acid, pinacol ester Production Method

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