2-Cyanopyrimidine-5-boronic acid pinacol ester

• CAS: 1025708-31-9
• Catalog Number: ACM1025708319
• Category: Other Products
• Molecular Weight: 231.1
• Molecular Formula: C₁₁H₁₄BN₃O₂
• Synonyms: 2-CYANOPYRIMIDINE-5-BORONIC ACID PINACOL ESTER, 1025708-31-9, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile, SureCN253746, AGN-PC-00YV3R, CTK8B3688, ANW-42945, AB45911, NCGC00185028-01, AK-55940, KB-23434, FT-0660786, A-4198, 2-Cyanopyrimidine-5-boronic acid pinacol ester,, 5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE-2-CARBONITRILE
• IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C#N
• InChI Key: KJQVHJSIJTVCMN-UHFFFAOYSA-N
• Exact Mass: 231.11800
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 14080-23-0
• 73183-34-3

• 1025708-31-9

Reference: [1]Larsen, Matthew A.; Hartwig, John F.
[Journal of the American Chemical Society, 2014, vol. 136, # 11, p. 4287 - 4299]
[2]Herbert, Simon; Kinzel, Tom; Shen, Qilong; Zhang, Wei; Zhao, Haiwei
[Journal of Organic Chemistry, 2020, vol. 85, # 5, p. 3596 - 3604]

Downstream Synthesis Route 1

• 1025708-31-9
• 1272353-93-1

• 1272354-91-2

Reference: [1]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - WO2011/28741, 2011, A1
Location in patent: Page/Page column 255
[2]Gunaga, Prashantha; Lloyd, John; Mummadi, Somanadham; Banerjee, Abhisek; Dhondi, Naveen Kumar; Hennan, James; Subray, Veena; Jayaram, Ramya; Rajugowda, Nagendra; Umamaheshwar Reddy, Kommuri; Kumaraguru, Duraimurugan; Mandal, Umasankar; Beldona, Dasthagiri; Adisechen, Ashok Kumar; Yadav, Navnath; Warrier, Jayakumar; Johnson, James A.; Sale, Harinath; Putlur, Siva Prasad; Saxena, Ajay; Chimalakonda, Anjaneya; Mandlekar, Sandhya; Conder, MaryLee; Xing, Dezhi; Gupta, Arun Kumar; Gupta, Anuradha; Rampulla, Richard; Mathur, Arvind; Levesque, Paul; Wexler, Ruth R.; Finlay, Heather J.
[Journal of Medicinal Chemistry, 2017, vol. 60, # 9, p. 3795 - 3803]

Downstream Synthesis Route 2

• 1025708-31-9
• 1354290-08-6

• 1354286-57-9

Reference: [1]Current Patent Assignee: AMGEN INC - WO2012/3283, 2012, A1
Location in patent: Page/Page column 172-173

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