1-Piperazinecarboxylicacid,4-(3-carboxyphenyl)-,1-(1,1-dimethylethyl)ester

• CAS: 193818-13-2
• Catalog Number: ACM193818132
• Category: Other Products
• Molecular Weight: 306.3569
• Molecular Formula: C₁₆H₂₂N₂O₄
• Synonyms: 3-[4-(tertbutoxycarbonyl)piperazin-1-yl]benzoic acid;3-(4-Boc-piperazin-1-yl)benzoic acid
• IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O
• InChI Key: CUQKZVZRDLXPHZ-UHFFFAOYSA-N
• Boiling Point: 434.5ºC at 760 mmHg
• Flash Point: 216.6ºC
• Density: 1.213 g/cm³
• Exact Mass: 306.15800
• H-Bond Acceptor: 5
• H-Bond Donor: 1

Synthetic Use

Upstream Synthesis Route 1

• 261925-94-4

• 193818-13-2

Reference: [1]Current Patent Assignee: SIENA BIOTECH S.P.A. SOCIETA' IN LIQUIDAZIONE - WO2009/74300, 2009, A2
Location in patent: Page/Page column 29; 13
[2]Current Patent Assignee: NERVIANO MEDICAL SCIENCES S.R.L. - WO2010/69966, 2010, A1
Location in patent: Page/Page column 80

Downstream Synthesis Route 1

• 193818-13-2
• 1035270-71-3

• 1035269-59-0

Reference: [1]Current Patent Assignee: ASTRAZENECA PLC - US2008/153812, 2008, A1
Location in patent: Page/Page column 111

Downstream Synthesis Route 2

• 193818-13-2
• 95-54-5
• 530-62-1

• 1160833-83-9

Reference: [1]Current Patent Assignee: SIENA BIOTECH S.P.A. SOCIETA' IN LIQUIDAZIONE - WO2009/74300, 2009, A2
Location in patent: Page/Page column 29-30; 13

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