| Identification | More | [Name]
4-[4-(tert-Butoxycarbonyl)piperazino]benzoic acid | [CAS]
162046-66-4 | [Synonyms]
1-(4-BOC-PIPERAZIN-1-YL)-BENZOIC ACID
1-(4-CARBOXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
1-BOC-4-(4-CARBOXY-PHENYL)-PIPERAZINE
4-(4-CARBOXY-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)BENZOIC ACID
4-(4-TERT-BUTOXYCARBONYLPIPERAZINE)BENZOIC ACID
4-[4-(TERT-BUTOXYCARBONYL)PIPERAZINO]BENZOIC ACID
BUTTPARK 98\06-97
4-(4-tert-Butoxycarbonyl)piperazinebenzoic acid 97%
4-Piperazin-1-ylbenzoic acid, N4-BOC protected 97%
4-(4-Carboxy-phenyl)-piperazine-1-carboxylic acid
4-(4-BOC-PIPERAZIN-1-YL)-BENZOIC ACID
4-(4-Carboxyphenyl)piperazine-1-carboxylicacidtert-butyleste | [Molecular Formula]
C16H22N2O4 | [MDL Number]
MFCD04115067 | [Molecular Weight]
306.36 | [MOL File]
162046-66-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
50 °C | [Boiling point ]
476.9±40.0 °C(Predicted) | [density ]
1.213±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder | [pka]
5.12±0.10(Predicted) | [color ]
Off-white | [InChI]
1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-6-4-12(5-7-13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20) | [InChIKey]
BEDWYXZFIYMEJG-UHFFFAOYSA-N | [SMILES]
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2)C(O)=O | [CAS DataBase Reference]
162046-66-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [Hazard Note ]
Harmful | [HS Code ]
2933599590 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Uses]
Boc-piperazine-benzoic acid is a PROTAC linker and can be used in the synthesis of PROTACs, such as PROTAC androgen receptor (AR) degrader ARD-2128 (HY-13229)[1]. | [Synthesis]
General procedure for the synthesis of tert-butyl 4-(4-carboxyphenyl)piperazine-1-carboxylate from tert-butyl 4-(4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate: 4-(4-(methoxycarbonyl)phenyl)piperazine-1-carboxylic acid tert-butyl ester (3.2 g, 10 mmol) was reacted with 2M NaOH solution (50 mL) in a mixture of THF (50 mL) and EtOH ( 50 mL) in a mixed solvent and the reaction was stirred at 60 °C for 3 hours. After completion of the reaction, the reaction mixture was concentrated to give a residue. The pH of the residue was adjusted to 7 with 2M HCl solution and filtered to afford tert-butyl 4-(4-carboxyphenyl)piperazine-1-carboxylate as a white solid (3.0 g, 100% yield). | [References]
[1] Han X, et al. Strategies toward Discovery of Potent and Orally Bioavailable Proteolysis Targeting Chimera Degraders of Androgen Receptor for the Treatment of Prostate Cancer. J Med Chem. 2021;64(17):12831-12854. |
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