| Identification | Back Directory | [Name]
1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE | [CAS]
197638-83-8 | [Synonyms]
BUTTPARK 98\06-98
1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE
4-(N-BOC-PIPERAZIN-1-YL)BENZALDEHYDE
1-boc-4-(4-formylphenyl)piperazine,97%
4-Piperazin-1-ylbenzaldehyde, N4-BOC protected
4-(4-TERT-BUTOXYCARBONYL)PIPERAZINEBENZALDEHYDE
TERT-BUTYL 4-(4'-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLATE
1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE ISO 9001：2015 REACH
4-(4-formylphenyl)-2-piperazinecarboxylic acid tert-butyl ester
4-(4-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(4-FORMYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL 4-(4-FORMYLPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
4-(4-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER 95%
1-Piperazinecarboxylic acid, 4-(4-formylphenyl)-, 1,1-dimethylethyl ester
4-(N-Boc-piperazin-1-yl)benzaldehyde, tert-Butyl 4-(4μ-formylphenyl)piperazine-1-carboxylate | [EINECS(EC#)]
201-215-5 | [Molecular Formula]
C16H22N2O3 | [MDL Number]
MFCD05864663 | [MOL File]
197638-83-8.mol | [Molecular Weight]
290.36 |
| Chemical Properties | Back Directory | [Melting point ]
118-121 °C(lit.)
| [Boiling point ]
441.4±40.0 °C(Predicted) | [density ]
1.154±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
2.45±0.10(Predicted) | [Appearance]
Light yellow to yellow Solid | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3 | [InChIKey]
KHORERZDMJTBMR-UHFFFAOYSA-N | [SMILES]
N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(C=O)C=C2)CC1 |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25-43 | [Safety Statements ]
36/37-45 | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [HS Code ]
2933599590 | [Storage Class]
6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Skin Sens. 1 |
| Hazard Information | Back Directory | [Synthesis]
Step 1: Anhydrous potassium carbonate (8.5 g, 62 mmol) was added to a solution of N-methyl-2-pyrrolidinone (NMP, 30 mL) containing p-fluorobenzaldehyde (3.9 g, 31 mmol) and N-BOC-piperazine (6.3 g, 34 mmol) under nitrogen protection. The reaction mixture was stirred at 135 °C for 12 hours. The progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was slowly poured into ice water (100 mL) and a yellow solid was precipitated. The precipitate was collected by filtration and washed three times (20 mL each) with cold water and dried under vacuum to give 1-BOC-4-(4-formylphenyl)piperazine as a yellow solid (6.4 g, 72% yield). | [References]
[1] Patent: WO2016/57779, 2016, A2. Location in patent: Page/Page column 68
[2] Journal of Medicinal Chemistry, 2016, vol. 59, # 6, p. 2747 - 2759
[3] Chemical Communications, 2016, vol. 52, # 67, p. 10289 - 10292
[4] Patent: WO2008/154642, 2008, A2. Location in patent: Page/Page column 155-156
[5] Patent: US2003/13737, 2003, A1 |
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