2-(Methylthio)-5-pyridinyl-boronic acid

• CAS: 321438-86-2
• Catalog Number: ACM321438862
• Category: Other Products
• Molecular Weight: 169.01g/mol
• Molecular Formula: C6H8BNO2S
• IUPAC Name: (6-methylsulfanylpyridin-3-yl)boronic acid
• Canonical SMILES: B(C1=CN=C(C=C1)SC)(O)O
• InChI: InChI=1S/C6H8BNO2S/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
• InChI Key: UXWKVPJOPVIIRU-UHFFFAOYSA-N
• Complexity: 125
• Covalently-Bonded Unit Count: 1
• Exact Mass: 169.03688g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 169.03688g/mol
• Rotatable Bond Count: 2

Synthetic Use

Upstream Synthesis Route 1

• 51933-78-9

• 321438-86-2

Reference: [1]Patent: WO2005/92899,2005,A1 .Location in patent: Page/Page column 79-80

Downstream Synthesis Route 1

• 321438-86-2
• 866000-39-7

• 866000-44-4

Reference: [1]Current Patent Assignee: MIRATI THERAPEUTICS, INC. - WO2005/92899, 2005, A1
Location in patent: Page/Page column 79-80

Downstream Synthesis Route 2

• 593-60-2
• 321438-86-2

• 1190977-43-5

Reference: [1]Perez-Pineiro, Rolando; Dai, Sheng; Alvarez-Puebla, Ramon; Wigginton, James; Al-Hourani, Baker Jawabrah; Fenniri, Hicham
[Tetrahedron Letters, 2009, vol. 50, # 39, p. 5467 - 5469]

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