5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid

• CAS: 475102-13-7
• Catalog Number: ACM475102137
• Category: Other Products
• Molecular Weight: 339.98g/mol
• Molecular Formula: C13H15BBrNO4
• Synonyms: 1-BOC-5-BROMO-1H-INDOLE-2-BORONIC ACID;1-BOC-5-BROMO-2-INDOLEBORONIC ACID;1-BOC-5-BROMOINDOLE-2-BORONIC ACID;1-(TERT-BUTOXYCARBONYL-5-BROMO-1H-INDOL-2-YL)BORONIC ACID;5-BROMO-N-(BOC)INDOLE-2-BORONIC ACID;5-BROMO-N-(BUTOXYCARBONYL)INDOLE-2-BORONIC ACID;5-B
• IUPAC Name: [5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
• Canonical SMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br)(O)O
• InChI: InChI=1S/C13H15BBrNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
• InChI Key: RBYTXZMVOGZESQ-UHFFFAOYSA-N
• Complexity: 374
• Covalently-Bonded Unit Count: 1
• Exact Mass: 339.02775g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 20
• Monoisotopic Mass: 339.02775g/mol
• Rotatable Bond Count: 3

Synthetic Use

Upstream Synthesis Route 1

• 182344-70-3

• 475102-13-7

Reference: [1] Journal of Organic Chemistry, 2002, vol. 67, # 21, p. 7551 - 7552
[2] Tetrahedron, 2009, vol. 65, # 34, p. 6877 - 6881

Upstream Synthesis Route 2

• 10075-50-0

• 475102-13-7

Reference: [1] Journal of Organic Chemistry, 2002, vol. 67, # 21, p. 7551 - 7552

Downstream Synthesis Route 1

• 475102-13-7

• 182344-70-3

Reference: [1] Journal of Organic Chemistry, 2015, vol. 80, # 20, p. 9807 - 9816

Downstream Synthesis Route 2

• 452-68-6
• 475102-13-7

• 1222174-96-0

Reference: [1]Patent: WO2010/45188,2010,A1 .Location in patent: Page/Page column 55

Downstream Synthesis Route 3

• 1123-99-5
• 475102-13-7

• 1572178-15-4

Reference: [1]Bioorganic and Medicinal Chemistry,2014,vol. 22,p. 1708 - 1725

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