1,4-Benzodioxane-6-boronic acid

• CAS: 164014-95-3
• Catalog Number: ACM164014953
• Category: Other Products
• Molecular Weight: 179.97g/mol
• Molecular Formula: C8H9BO4
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylboronic acid
• Canonical SMILES: B(C1=CC2=C(C=C1)OCCO2)(O)O
• InChI: InChI=1S/C8H9BO4/c10-9(11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5,10-11H,3-4H2
• InChI Key: SQDUGGGBJXULJR-UHFFFAOYSA-N
• Complexity: 176
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.059389g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.059389g/mol
• Rotatable Bond Count: 1

Synthetic Use

Downstream Synthesis Route 1

• 887242-91-3
• 164014-95-3

• 887244-07-7

Reference: [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2006/52722, 2006, A1
Location in patent: Page/Page column 166

Downstream Synthesis Route 2

• 903597-10-4
• 164014-95-3

• 944279-13-4

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC; CHANA SURINDER SINGH - WO2007/80401, 2007, A1
Location in patent: Page/Page column 44-45

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