Cas no 874291-00-6 (4-(3-Ethylureido)phenylboronic acid, pinacol ester)

4-(3-Ethylureido)phenylboronic acid is a versatile boronic acid derivative with unique reactivity. Its key advantage lies in its ability to efficiently mediate Suzuki-Miyaura cross-coupling reactions with pinacol esters, offering a reliable and efficient route for the construction of carbon-carbon bonds. This compound's selectivity and stability make it an indispensable tool in organic synthesis.
4-(3-Ethylureido)phenylboronic acid, pinacol ester structure
874291-00-6 structure
Product Name:4-(3-Ethylureido)phenylboronic acid, pinacol ester
CAS No:874291-00-6
MF:C15H23BN2O3
MW:290.165724039078
MDL:MFCD08689523
CID:719843
PubChem ID:44119377
Update Time:2025-11-01

4-(3-Ethylureido)phenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
    • 4-(3-Ethylureido)benzeneboronic acid pinacol ester
    • 1-ethyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • 4-(3-Ethylureido)phenylboronic acid, pinacol ester
    • Urea,N-ethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
    • 4-(3-Ethylureido)benzeneboronic acid, pinacol ester
    • BYHDTZHNPIWVOP-UHFFFAOYSA-N
    • OR3452
    • AM804464
    • AX8230854
    • ST24021314
    • Y4426
    • 4-(3-et
    • N-Ethyl-N′-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea (ACI)
    • (4-(3-Ethylureido)phenyl)boronic acid pinacol ester
    • DTXSID10657185
    • DA-17712
    • 4-[(Ethylcarbamoyl)amino]benzeneboronic acid, pinacol ester
    • 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
    • MFCD08689523
    • SCHEMBL118986
    • 874291-00-6
    • PS-9682
    • N-Ethyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
    • AKOS015999487
    • CS-0007814
    • 4-[(ETHYLCARBAMOYL)AMINO]BENZENEBORONIC ACID, PINACOL ESTER 98%4-(3-ETHYLUREIDO)BENZENEBORONIC ACID, PINACOL ESTER
    • 3-ETHYL-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
    • J-504601
    • ZJB29100
    • 4-(3-ethylureido)phenyl boronic acid pinacol ester
    • 4-(3-ethylureido)phenylboronic acid pinacol ester
    • MDL: MFCD08689523
    • Inchi: 1S/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-11(8-10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19)
    • InChI Key: BYHDTZHNPIWVOP-UHFFFAOYSA-N
    • SMILES: O=C(NCC)NC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1

Computed Properties

  • Exact Mass: 290.18000
  • Monoisotopic Mass: 290.18
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 363
  • 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: 59.6

Experimental Properties

  • Density: 1.09
  • Melting Point: 194-196
  • Boiling Point: 392℃
  • Flash Point: 191℃
  • Refractive Index: 1.519
  • PSA: 59.59000
  • LogP: 2.59110

4-(3-Ethylureido)phenylboronic acid, pinacol ester Security Information

  • Hazard Statement: Irritant/Keep Cold
  • Hazardous Material Identification: Xi
  • Storage Condition:Keep cold

4-(3-Ethylureido)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%

4-(3-Ethylureido)phenylboronic acid, pinacol ester Pricemore >>

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4-(3-Ethylureido)phenylboronic acid, pinacol ester Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Dichloromethane ;  0.5 h, 40 °C
2.1 Reagents: Potassium carbonate ;  6 h, 85 °C
Reference
Design, synthesis and biological evaluation of novel benzothiazole derivatives as selective PI3Kβ inhibitors
Cao, Shuang; et al, Molecules, 2016, 21(7), 876/1-876/14

4-(3-Ethylureido)phenylboronic acid, pinacol ester Preparation Products

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