Tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate

HCID 968936

Notes Reactions

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Basic information

CAS: 414910-15-9
Standard SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1
InChIKey: IREXWNMKXDFMFW-UHFFFAOYSA-N
Molecular formula: C13H22N2O3
Average molar mass: 254.33 g/mol
Monoisotopic mass: 254.16304256

Names & identifiers

Preferred name: Tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
English name: tert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylate
Molecular formula: C13H22N2O3
Molecular weight: 254.33

Names & synonyms

414910-15-9Tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylatetert-butyl 4-(cyclopropylcarbonyl)-1-piperazinecarboxylateOlaparib Impurity ZMFCD03930967(4-Boc-1-piperazinyl)(cyclopropyl)methanone4-Cyclopropanoylpiperazine-1-carboxylic acid tert-butyl estertert-butyl 4-(cyclopropylcarbonyl)piperazine-1-carboxylate1-Piperazinecarboxylic acid, 4-(cyclopropylcarbonyl)-, 1,1-dimethylethyl esterIREXWNMKXDFMFW-UHFFFAOYSA-NGNU4NM6EKESCHEMBL2048225

Show more names

Olapali impurity 9Olapali impurity 21Artemether Impurity 13Olaparib impurity OP-Fert-butyl4-(cyclopropanecarbonyl)piperazine-1-carboxylate

tert-butyl 4-cyclopropanecarbonylpiperazine-1-carboxylateDTXSID10359536tert-Butyl4-(cyclopropanecarbonyl)piperazine-1-carboxylateCS-M1240tert-Butyl 4-(cyclopropanecarbonyl)STK124130AKOS000494341AC-30401

Database identifiers

CAS: 414910-15-9
PubChem CID: 968936
DTXSID: DTXSID10359536
UNII: GNU4NM6EKE
EC Number: 119-288-5

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 337

Physicochemical properties

Boiling point: 388.4 · 388.4±35.0 °C(Predicted)
Density: 1.175 · 1.175±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: -0.25 · -0.25±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Cyclopropanoylpiperazine-1-carboxylic Acid tert-Butyl Ester is a useful reagent for organic synthesis and other chemical processes. It is used as a reagent in the preparation of propanoyl-quinazolinone scaffold-based novel PARP1 inhibitors.