1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE Chemical Properties

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 Information

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

MSDS

• Language:English Provider:SigmaAldrich

1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE Usage And Synthesis

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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