1-Piperazinecarboxylicacid,4-(4-cyanophenyl)-,1,1-dimethylethyl ester

• CAS: 186650-98-6
• Catalog Number: ACM186650986
• Category: Other Products
• Molecular Weight: 287.36
• Molecular Formula: C₁₆H₂₁N₃O₂
• Synonyms: 186650-98-6, tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate, TERT-BUTYL 4-(4-CYANOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE, 1-Boc-4-(4-cyanophenyl)piperazine, ZINC00168454, AC1MDTJI, SureCN2471189, CTK4D9301, MolPort-000-142-867, AB3366, ANW-54961, AKOS005069950, AC-7314, AG-E-35856, CC30016, MCULE-9040842301, RP06707, RP22779, AK-82499, AB1000548
• IUPAC Name: tert-butyl 4-(4-cyanophenyl)piperazine-1-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C#N
• InChI Key: WIBWVYVIBJOVIW-UHFFFAOYSA-N
• Boiling Point: 445.7ºC at 760 mmHg
• Melting Point: 128-126ºC
• Flash Point: 223.4ºC
• Density: 1.17 g/cm³
• Exact Mass: 287.16300
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 623-03-0
• 57260-71-6

• 186650-98-6

Reference: [1]Kim, So Han; Kim, Min; Verkade, John G.; Kim, Youngjo
[European Journal of Organic Chemistry, 2015, vol. 2015, # 9, p. 1954 - 1960]
[2]Urgaonkar, Sameer; Verkade, John G.
[Journal of Organic Chemistry, 2004, vol. 69, # 26, p. 9135 - 9142]

Upstream Synthesis Route 2

• 623-00-7
• 57260-71-6

• 186650-98-6

Reference: [1]Stauffer, Shaun R.; Steinbeiser, Melissa A.
[Tetrahedron Letters, 2005, vol. 46, # 15, p. 2571 - 2575]
[2]Current Patent Assignee: SHENZHEN LANGRUN INVESTMENT CO., LTD. - CN110467629, 2019, A
Location in patent: Paragraph 0227-0230

Downstream Synthesis Route 1

• 186650-98-6

• 68104-63-2

Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 3086 - 3090

Downstream Synthesis Route 2

• 186650-98-6

• 197638-83-8

Reference: [1] Chemical and Pharmaceutical Bulletin, 1997, vol. 45, # 9, p. 1458 - 1469
[2] Patent: US2005/239795, 2005, A1, . Location in patent: Page/Page column 13

Downstream Synthesis Route 3

• 186650-98-6

• 197638-83-8

Reference: [1]Chemical and Pharmaceutical Bulletin,1997,vol. 45,p. 1458 - 1469
[2]Patent: US2005/239795,2005,A1 .Location in patent: Page/Page column 13

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