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

• CAS: 182618-86-6
• Catalog Number: ACM182618866
• Category: Other Products
• Molecular Weight: 307.3449
• Molecular Formula: C₁₅H₂₁N₃O₄
• Synonyms: Oprea1_054508, MLS000706997, ZINC04052819, CID3380696, SMR000335817, 5R-1552, tert-butyl 4-(4-nitrophenyl)tetrahydro-1(2H)-pyrazinecarboxylate, 182618-86-6
• IUPAC Name: tert-butyl 4-(4-nitrophenyl)piperazine-1-carboxylate
• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
• InChI Key: MGYCIJUTYLUYJM-UHFFFAOYSA-N
• Boiling Point: 456.6ºC at 760 mmHg
• Flash Point: 229.9ºC
• Density: 1.22 g/cm³
• Exact Mass: 307.15300
• H-Bond Acceptor: 5
• H-Bond Donor: 0

Synthetic Use

Upstream Synthesis Route 1

• 350-46-9
• 57260-71-6

• 182618-86-6

Reference: [1] Patent: WO2006/38039, 2006, A1, . Location in patent: Page/Page column 17; 30

Upstream Synthesis Route 2

• 24424-99-5
• 6269-89-2

• 182618-86-6

Reference: [1] Patent: US2002/151554, 2002, A1,

Upstream Synthesis Route 3

• 586-78-7
• 57260-71-6

• 182618-86-6

Reference: [1]Tetrahedron Letters,2006,vol. 47,p. 2549 - 2552

Downstream Synthesis Route 1

• 182618-86-6

• 6269-89-2

Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 15, p. 2549 - 2552
[2] Patent: WO2012/59932, 2012, A1, . Location in patent: Page/Page column 118
[3] Tetrahedron Letters, 1997, vol. 38, # 23, p. 4091 - 4094
[4] Journal of Medicinal Chemistry, 2011, vol. 54, # 8, p. 3086 - 3090

Downstream Synthesis Route 2

• 182618-86-6

• 850628-90-9

Reference: [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 2371 - 2387

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