ChemicalBook--->CAS DataBase List--->59878-57-8

59878-57-8

59878-57-8 Structure

59878-57-8 Structure
IdentificationBack Directory
[Name]

1-(CYCLOPROPANECARBONYL)PIPERAZINE 97
[CAS]

59878-57-8
[Synonyms]

yl]-benzonitrile
N-(Cyclopropylcarbonyl)piperazine
1-(Cyclopropylcarbonyl)-piperazin
1-(Cyclopropanecarbonyl)plperazine
Piperazine, 1-(cyclopropylcarbonyl)-
Methanone, cyclopropyl-1-piperazinyl-
1-(CYCLOPROPANECARBONYL)PIPERAZINE 97
1-(Cyclopropylcarbonyl)piperazine, 97%
Piperazine, 1-(cyclopropylcarbonyl)- (9CI)
1-(Cyclopropylcarbonyl)piperazine hydrochloride 97%
Cyclopropyl(piperazin-1-yl)methan-1-one hydrochloride
Cyclopropyl(piperazin-1-yl)methanone (Olaparib Impurity)
1-(CYCLOPROPANECARBONYL)PIPERAZINE 97 ISO 9001:2015 REACH
1-(Cyclopropylcarbonyl)piperazine, 97% colorless to pale brown liquid
[Molecular Formula]

C8H14N2O
[MDL Number]

MFCD03428576
[MOL File]

59878-57-8.mol
[Molecular Weight]

154.21
Chemical PropertiesBack Directory
[Boiling point ]

120 °C0.15 mm Hg
[density ]

1.087 g/mL at 25 °C
[refractive index ]

n20/D 1.524
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Liquid
[pka]

8.47±0.10(Predicted)
[color ]

Colorless to pale brown
[InChI]

InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
[InChIKey]

WIHDAPMHNYYTOA-UHFFFAOYSA-N
[SMILES]

C(C1CC1)(N1CCNCC1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H315-H318-H335
[Precautionary statements ]

P280-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xi
[Risk Statements ]

37/38-41
[Safety Statements ]

26-36/37/39
[WGK Germany ]

2
[HS Code ]

2933599590
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

1-(Cyclopropylcarbonyl)piperazine
[Synthesis]

tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate

414910-15-9

1-(CYCLOPROPANECARBONYL)PIPERAZINE  97

59878-57-8

The general procedure for the synthesis of 1-cyclopropanecarbonylpiperazine from tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate was as follows: 1-tert-butoxycarbonyl-4-(cyclopropanecarbonyl)piperazine (190 mg, 0.75 mmol) was dissolved in dichloromethane (5 mL), followed by slow addition of trifluoroacetic acid (1 mL). The reaction mixture was stirred at room temperature and the progress of the reaction was monitored by thin layer chromatography (TLC) until complete consumption of the ingredients. Upon completion of the reaction, the reaction mixture was washed with saturated sodium bicarbonate solution (3 × 10 mL) to neutralize the acid. The organic phase was separated, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to afford 112 mg (97% yield) of 1-cyclopropanecarbonylpiperazine as a light yellow solid, which was used directly in the next step of the reaction.

[References]

[1] Patent: EP2799435, 2014, A1. Location in patent: Paragraph 0094
[2] Patent: US2015/51211, 2015, A1. Location in patent: Paragraph 0121
[3] Patent: US2004/14770, 2004, A1. Location in patent: Page/Page column 11
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 16, p. 3739 - 3743
Spectrum DetailBack Directory
[Spectrum Detail]

1-(CYCLOPROPANECARBONYL)PIPERAZINE 97(59878-57-8)1HNMR
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