1-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid, pinacol ester

• CAS: 864754-18-7
• Catalog Number: ACM864754187-1
• Category: Boronic Esters
• Molecular Weight: 307.2g/mol
• Molecular Formula: C15H26BN3O3
• IUPAC Name: 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCOCC3
• InChI: InChI=1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18/h11-12H,5-10H2,1-4H3
• InChI Key: FBAPTUAEBQMVEY-UHFFFAOYSA-N
• Complexity: 372
• Covalently-Bonded Unit Count: 1
• Exact Mass: 307.206722g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Monoisotopic Mass: 307.206722g/mol
• Rotatable Bond Count: 4

Synthetic Use

Upstream Synthesis Route 1

• 73183-34-3

• 864754-18-7

Reference: [1] Patent: WO2014/162039, 2014, A1, . Location in patent: Page/Page column 35; 36

Upstream Synthesis Route 2

• 269410-08-4
• 3647-69-6

• 864754-18-7

Reference: [1] Patent: WO2017/178416, 2017, A1, . Location in patent: Page/Page column 116

Upstream Synthesis Route 3

• 89583-07-3
• 269410-08-4

• 864754-18-7

Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 24, p. 7934 - 7937

Upstream Synthesis Route 4

• 89583-07-3
• 269410-08-4

• 864754-18-7

Reference: [1]Journal of Medicinal Chemistry,2009,vol. 52,p. 7934 - 7937

Downstream Synthesis Route 1

• 864754-18-7
• 1309774-04-6

• 1422126-22-4

Reference: [1]Current Patent Assignee: FUJIFILM HOLDINGS CORP. - EP2727920, 2014, A1
Location in patent: Paragraph 0589-0590
[2]Current Patent Assignee: FUJIFILM HOLDINGS CORP. - US2015/322063, 2015, A1
Location in patent: Paragraph 1398; 1399; 1400

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