Cas no 696602-91-2 (Pyrimidin-5-ylboronic acid hydrate)

Pyrimidin-5-ylboronic acid hydrate is a boronic acid derivative commonly employed as a key intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl and heteroaryl compounds. Its pyrimidine scaffold enhances utility in pharmaceutical and agrochemical research, particularly for constructing complex molecular architectures. The boronic acid group facilitates efficient palladium-catalyzed couplings with aryl halides, offering high selectivity and functional group tolerance. The hydrate form ensures improved stability and handling compared to anhydrous analogs. This compound is particularly valuable in medicinal chemistry for modifying pyrimidine-based scaffolds, aiding in the development of targeted therapeutics. Its consistent reactivity and compatibility with diverse reaction conditions make it a reliable choice for synthetic applications.
Pyrimidin-5-ylboronic acid hydrate structure
696602-91-2 structure
Product Name:Pyrimidin-5-ylboronic acid hydrate
CAS No:696602-91-2
MF:C4H7BN2O3
MW:141.92098069191
MDL:MFCD16661236
CID:92991
PubChem ID:53487064
Update Time:2025-10-23

Pyrimidin-5-ylboronic acid hydrate Chemical and Physical Properties

Names and Identifiers

    • Pyrimidin-5-ylboronic acid hydrate
    • Pyrimidine-5-boronic acid hemihydrate
    • Pyrimidin-5-yl-5-boronic acid monohydrate
    • SB57606
    • SCHEMBL2326354
    • pyrimidin-5-ylboronic acid;hydrate
    • 5-pyrimidyl boronic acid hydrate
    • (pyrimidin-5-yl)boronic acid hydrate
    • MFCD16661236
    • Pyrimidin-5-ylboronicacidhydrate
    • 696602-91-2
    • LYFNYAJLYNQEBC-UHFFFAOYSA-N
    • EN300-196563
    • MDL： MFCD16661236
    • Inchi： 1S/C4H5BN2O2.H2O/c8-5(9)4-1-6-3-7-2-4;/h1-3,8-9H;1H2
    • InChI Key： LYFNYAJLYNQEBC-UHFFFAOYSA-N
    • SMILES： OB(C1=CN=CN=C1)O.O

Computed Properties

  • Exact Mass: 142.05500
  • Monoisotopic Mass: 124.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 84.6
  • 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: 66.2A^2

Experimental Properties

  • Color/Form: Off white powder
  • Density: 1.33
  • Melting Point: >300°C
  • Boiling Point: 334.7 °Cat760mmHg
  • Flash Point: 156.2 °C
  • Refractive Index: 1.534
  • PSA: 75.47000
  • LogP: -1.90790

Pyrimidin-5-ylboronic acid hydrate Customs Data

  • HS CODE：2933599090
  • Customs Data：

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Pyrimidin-5-ylboronic acid hydrate Pricemore >>

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Pyrimidin-5-ylboronic acid hydrate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:696602-91-2)Pyrimidin-5-ylboronic acid hydrate
Order Number:A1171855
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:21
Price ($):252.0

Pyrimidin-5-ylboronic acid hydrate Related Literature

696602-91-2 (Pyrimidin-5-ylboronic acid hydrate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:696602-91-2)Pyrimidin-5-ylboronic acid hydrate
A1171855
Purity:99%
Quantity:5g
Price ($):252.0
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