Indole-4-boronic acid pinacol ester

• CAS: 388116-27-6
• Catalog Number: ACM388116276
• Category: Boronic Esters
• Molecular Weight: 243.11g/mol
• Molecular Formula: C14H18BNO2
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=CC=C2
• InChI: InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-6-5-7-12-10(11)8-9-16-12/h5-9,16H,1-4H3
• InChI Key: QDCIXBBEUHMLDN-UHFFFAOYSA-N
• Complexity: 316
• Covalently-Bonded Unit Count: 1
• Exact Mass: 243.143059g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 243.143059g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 52488-36-5
• 73183-34-3

• 388116-27-6

Reference: [1] Patent: US2008/280891, 2008, A1, . Location in patent: Page/Page column 30

Upstream Synthesis Route 2

• 25235-85-2
• 73183-34-3

• 388116-27-6

Reference: [1] Patent: WO2010/110782, 2010, A1, . Location in patent: Page/Page column 47

Upstream Synthesis Route 3

• 52488-36-5
• 73183-34-3

• 120-72-9
• 388116-27-6

Reference: [1] Patent: WO2004/76412, 2004, A2, . Location in patent: Page 96

Upstream Synthesis Route 4

• 25235-85-2
• 73183-34-3

• 388116-27-6

Reference: [1]Patent: WO2010/110782,2010,A1 .Location in patent: Page/Page column 47

Upstream Synthesis Route 5

• 52488-36-5
• 73183-34-3

• 388116-27-6

Reference: [1]Patent: US2008/280891,2008,A1 .Location in patent: Page/Page column 30

Downstream Synthesis Route 1

• 1073-06-9
• 388116-27-6

• 442562-62-1

Reference: [1]Patent: US2004/186160,2004,A1 .Location in patent: Page/Page column 23

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