5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzofurazan

• CAS: 1073355-14-2
• Catalog Number: ACM1073355142-1
• Category: Other
• Molecular Weight: 246.07g/mol
• Molecular Formula: C12H15BN2O3
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=NON=C3C=C2
• InChI: InChI=1S/C12H15BN2O3/c1-11(2)12(3,4)17-13(16-11)8-5-6-9-10(7-8)15-18-14-9/h5-7H,1-4H3
• InChI Key: MQXANAGMQAYTMV-UHFFFAOYSA-N
• Complexity: 321
• Covalently-Bonded Unit Count: 1
• Exact Mass: 246.117572g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 246.117572g/mol
• Rotatable Bond Count: 1

Synthetic Use

Downstream Synthesis Route 1

• 1073355-14-2
• 1168133-92-3

• 1168133-93-4

Reference: [1]Current Patent Assignee: FORUM PHARMACEUTICALS INC - WO2009/86277, 2009, A1
Location in patent: Page/Page column 163-164
[2]Current Patent Assignee: FORUM PHARMACEUTICALS INC - WO2013/106328, 2013, A1
Location in patent: Paragraph 0390; 0391

Downstream Synthesis Route 2

• 1073355-14-2
• 1168134-90-4

• 1168134-92-6

Reference: [1]Current Patent Assignee: FORUM PHARMACEUTICALS INC - WO2009/86277, 2009, A1
Location in patent: Page/Page column 281-282

Downstream Synthesis Route 3

• 1073355-14-2
• 1251457-85-8

• 1251457-50-7

Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2010/115952, 2010, A1
Location in patent: Page/Page column 40

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