2-Aminopyrimidine-5-boronic acid

• CAS: 936250-22-5
• Catalog Number: ACM936250225
• Category: Boro-Amino Acids
• Molecular Weight: 138.92g/mol
• Molecular Formula: C4H6BN3O2
• IUPAC Name: (2-aminopyrimidin-5-yl)boronic acid
• Canonical SMILES: B(C1=CN=C(N=C1)N)(O)O
• InChI: InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)
• InChI Key: CGHYQZASLKERLV-UHFFFAOYSA-N
• Complexity: 105
• Covalently-Bonded Unit Count: 1
• Exact Mass: 139.055307g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 3
• Heavy Atom Count: 10
• Monoisotopic Mass: 139.055307g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 883231-25-2

• 936250-22-5

Reference: [1] Patent: US2014/100366, 2014, A1, . Location in patent: Page/Page column

Upstream Synthesis Route 2

• 7752-82-1
• 5419-55-6

• 936250-22-5

Reference: [1] Patent: US2014/100366, 2014, A1, . Location in patent: Page/Page column

Upstream Synthesis Route 3

• 5419-55-6

• 936250-22-5

Reference: [1] Organic Process Research and Development, 2016, vol. 20, # 1, p. 95 - 99

Downstream Synthesis Route 1

• 109-04-6
• 936250-22-5

• 197958-23-9

Reference: [1]European Journal of Organic Chemistry,2007,p. 5712 - 5716

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