Boronic acid,b-[1-(phenylsulfonyl)-1H-indol-3-yl]-

• CAS: 129271-98-3
• Catalog Number: ACM129271983
• Category: Other Products
• Molecular Weight: 301.13
• Molecular Formula: C₁₄H₁₂BNO₄S
• Synonyms: 563870_ALDRICH, 1-(Phenylsulfonyl)-3-indoleboronic acid, CC 03112, 129271-98-3
• IUPAC Name: (1-phenylsulfonylindol-3-yl)boronic acid
• Canonical SMILES: B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)(O)O
• InChI Key: YKTZLHLBQGCFQX-UHFFFAOYSA-N
• Boiling Point: 581.384ºC at 760 mmHg
• Melting Point: 144ºC (dec.)(lit.)
• Flash Point: 305.41ºC
• Density: 1.35g/cm³
• Exact Mass: 301.05800
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Safety Description: 24/25-36-26
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 121-43-7
• 99655-68-2

• 129271-98-3

Reference: [1] Patent: WO2015/74124, 2015, A1, . Location in patent: Page/Page column 43; 44

Upstream Synthesis Route 2

• 99655-68-2

• 129271-98-3

Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3412 - 3415

Upstream Synthesis Route 3

• 98-09-9

• 129271-98-3

Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 15, p. 3412 - 3415
[2] Patent: WO2015/74124, 2015, A1,

Downstream Synthesis Route 1

• 22037-28-1
• 129271-98-3

• 887615-87-4

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 2535 - 2538

Downstream Synthesis Route 2

• 626-55-1
• 129271-98-3

• 183544-32-3

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 2535 - 2538

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