Cas no 850568-44-4 ([4-(3-methoxy-3-oxopropyl)phenyl]boronic acid)

[4-(3-Methoxy-3-oxopropyl)phenyl]boronic acid is a versatile boronic acid derivative widely employed in Suzuki-Miyaura cross-coupling reactions, a key methodology in organic synthesis for forming carbon-carbon bonds. The presence of the methoxycarbonylpropyl substituent enhances its stability and solubility in organic solvents, facilitating handling and reaction efficiency. This compound is particularly valuable in pharmaceutical and materials science research, where it serves as a building block for synthesizing complex aromatic systems. Its boronic acid group enables selective coupling with aryl halides, while the ester functionality offers further derivatization opportunities. The product is typically characterized by high purity and consistent performance in palladium-catalyzed transformations.
[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid structure
850568-44-4 structure
Product Name:[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid
CAS No:850568-44-4
MF:C10H13BO4
MW:208.018823385239
MDL:MFCD04115640
CID:68968
PubChem ID:3779933
Update Time:2025-06-07

[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Methoxycarbonylethyl)phenylboronic acid
    • [4-(2-Methoxycarbonylethyl)Phenyl]Boronic Acid
    • 4-(2-Methoxycarbonylethyl)benzeneboronic acid
    • [4-(3-methoxy-3-oxopropyl)phenyl]boronic acid
    • MFCD04115640
    • SCHEMBL257954
    • SY286426
    • (4-(3-METHOXY-3-OXOPROPYL)PHENYL)BORONIC ACID
    • CS-0176104
    • 4-(2-methoxycarbonylethyl)phenyl boronic acid
    • AKOS015851629
    • AB20311
    • 4-Trifluoromethylbenzoicacid
    • FT-0649093
    • A863748
    • 4-(3-methoxy-3-oxopropyl)phenylboronic acid
    • 850568-44-4
    • XRKIHUXCUIFHAS-UHFFFAOYSA-N
    • DTXSID40396313
    • EN300-7390289
    • BS-24221
    • DB-005577
    • MDL： MFCD04115640
    • Inchi： 1S/C10H13BO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6,13-14H,4,7H2,1H3
    • InChI Key： XRKIHUXCUIFHAS-UHFFFAOYSA-N
    • SMILES： O(C)C(CCC1C=CC(B(O)O)=CC=1)=O

Computed Properties

  • Exact Mass: 208.09100
  • Monoisotopic Mass: 208.091
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 200
  • 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: 66.8A^2

Experimental Properties

  • Density: 1.18
  • Melting Point: 90-94
  • Boiling Point: 358.6°C at 760 mmHg
  • Flash Point: 170.7°C
  • Refractive Index: 1.522
  • PSA: 66.76000
  • LogP: -0.52800

[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid Security Information

[4-(3-methoxy-3-oxopropyl)phenyl]boronic 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%

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[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid Production Method

[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:850568-44-4)[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid
Order Number:A863748
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 08:42
Price ($):160.0

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:850568-44-4)[4-(3-methoxy-3-oxopropyl)phenyl]boronic acid
A863748
Purity:99%
Quantity:1g
Price ($):160.0
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