Cas no 928664-98-6 (4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole)

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole structure
928664-98-6 structure
Product Name:4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
CAS No:928664-98-6
MF:C9H14BNO3
MW:195.023362636566
MDL:MFCD06657891
CID:829927
PubChem ID:16414180
Update Time:2024-10-26

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazoleboronic acid pinacol ester
    • 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)isoxazole
    • 3-Hydroxy-2,3-diMethylbutan-2-yl hydrogen 1,2-oxazol-4-ylboronate
    • Isoxazole-4-boronic acid pinacol ester
    • 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-isoxazole
    • 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
    • 4-isooxazolylboronic acid pinacol ester
    • Isoxazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
    • LXCICYRNWIGDQA-UHFFFAOYSA-N
    • EOS147
    • AMBA00007
    • FCH853063
    • AB25740
    • AM85030
    • 4-isoo
    • 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole (ACI)
    • Isoxazol-4-ylboronic acid pinacol ester
    • 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
    • 4-Isoxazoleboronic acid pinacol ester, 95%
    • MFCD06657891
    • 4-Isoxazoleboronic acid, pinacol ester
    • AKOS006293858
    • 928664-98-6
    • EN300-212573
    • DS-13033
    • Z1198169385
    • SY025655
    • CS-W001065
    • SCHEMBL142345
    • DTXSID50585938
    • J-513440
    • MDL: MFCD06657891
    • Inchi: 1S/C9H14BNO3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3
    • InChI Key: LXCICYRNWIGDQA-UHFFFAOYSA-N
    • SMILES: N1=CC(B2OC(C)(C)C(C)(C)O2)=CO1

Computed Properties

  • Exact Mass: 195.10700
  • Monoisotopic Mass: 195.1066735g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 216
  • 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: 44.5

Experimental Properties

  • Melting Point: 110-115?°C
  • PSA: 44.49000
  • LogP: 0.97380

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H312-H332
  • Warning Statement: P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Hazardous Material Identification: Xn
  • Storage Condition:2-8°C

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole 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-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Pricemore >>

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4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Magnesate(1-), dichloro(1-methylethyl)-, lithium (1:1) Solvents: Tetrahydrofuran ;  -78 °C; 30 min, -78 °C
1.2 4.5 h, 0 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  acidified
Reference
Generation of an 4-Isoxazolyl Anion Species: Facile Access to Multifunctionalized Isoxazoles
Morita, Taiki; Fuse, Shinichiro; Nakamura, Hiroyuki, Angewandte Chemie, 2016, 55(43), 13580-13584

Production Method 2

Reaction Conditions
1.1 Reagents: Butyllithium ,  Triisopropyl borate Solvents: Tetrahydrofuran ,  Hexane ;  3 h, -78 °C; 16 h, 23 °C
1.2 16 h, 23 °C
Reference
Palladium-Catalyzed Cyanomethylation of Aryl Halides through Domino Suzuki Coupling-Isoxazole Fragmentation
Velcicky, Juraj; Soicke, Arne; Steiner, Roland; Schmalz, Hans-Gunther, Journal of the American Chemical Society, 2011, 133(18), 6948-6951

Production Method 3

Reaction Conditions
Reference
Anti-influenza virus compound, preparation method and use thereof
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Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium ,  Triisopropyl borate Solvents: Tetrahydrofuran ,  Hexane ;  3 h, -78 °C; 16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ;  acidified, rt
1.3 Solvents: Tetrahydrofuran ;  16 h, rt
Reference
4-(4,4,5,5-Tetramethyl-1,3,2-dioxoborolan-2-yl)-isoxazole
Schmalz, Hans-Guenther; Soicke, Arne; Velcicky, Juraj, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2012, 1, 1-2

Production Method 5

Reaction Conditions
Reference
Hpk1 inhibitor and application thereof in medicine
, World Intellectual Property Organization, , ,

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Raw materials

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Preparation Products

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:928664-98-6)4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Order Number:A851174
Stock Status:in Stock
Quantity:25g/100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:34
Price ($):335.0/1338.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:928664-98-6)4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
A851174
Purity:99%/99%
Quantity:25g/100g
Price ($):335.0/1338.0
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