4-Isoxazoleboronic acid pinacol ester

• CAS: 928664-98-6
• Catalog Number: ACM928664986
• Category: Other Products; Boronic Esters
• Molecular Weight: 195.0245
• Molecular Formula: C9H14BNO3
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CON=C2
• InChI: 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
• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Exact Mass: 195.106673g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 14
• MDL Number: MFCD06657891
• Monoisotopic Mass: 195.106673g/mol
• Rotatable Bond Count: 1
• Size: 100mg,250mg,500mg,1g,5g,25g,100g

Custom Reviews

May 23, 2023

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An important pharmaceutical intermediate.
Difluoromethyl modified 4-Isoxazoleboronic acid pinacol ester has high efficacy and low biological toxicity against hepatitis C virus.

Synthetic Use

Downstream Synthesis Route 1

• 109-04-6
• 928664-98-6

• 2739-97-1

Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 18, p. 6948 - 6951

Downstream Synthesis Route 2

• 928664-98-6
• 95-46-5

• 22364-68-7

Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 18, p. 6948 - 6951

Downstream Synthesis Route 3

• 928664-98-6
• 402-43-7

• 2338-75-2

Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 18, p. 6948 - 6951

Downstream Synthesis Route 4

• 928664-98-6
• 1033805-92-3

• 1033805-99-0

Reference: [1]Patent: US2008/153852,2008,A1 .Location in patent: Page/Page column 27

Downstream Synthesis Route 5

• 928664-98-6
• 1041205-02-0

• 1041205-17-7

Reference: [1]Patent: WO2008/88692,2008,A2 .Location in patent: Page/Page column 143

Downstream Synthesis Route 6

• 928664-98-6
• 1138473-16-1

• 1138473-20-7

Reference: [1]Patent: WO2009/46416,2009,A1 .Location in patent: Page/Page column 62-63

* For details of the synthesis route, please refer to the original source to ensure accuracy.