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About This Item
Empirical Formula (Hill Notation):
C9H18N2O2
CAS Number:
Molecular Weight:
186.25
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
32160406
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
879985
Assay:
≥98.0% (GC)
Form:
solid
InChI
1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
SMILES string
CC(C)(C)OC(=O)N1CCNCC1
InChI key
CWXPZXBSDSIRCS-UHFFFAOYSA-N
assay
≥98.0% (GC)
form
solid
Quality Level
mp
43-47 °C
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Related Categories
Application
1-Boc-piperazine undergoes Buchwald-Hartwig amination with various aryl halides to form corresponding amine derivatives. It can be used to synthesize monosubstituted piperazine intermediates of many bioactive molecules and piperazine containing drug substances, such as trazodone.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Discovery of 1-[2-(2, 4-dimethylphenylsulfanyl) phenyl] piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder.
Bang-Andersen B, et al.
Journal of Medicinal Chemistry, 54(9), 3206-3221 (2011)
Synthesis and dual D2 and 5-HT1A receptor binding affinities of 5-piperidinyl and 5-piperazinyl-1 H-benzo [d] imidazol-2 (3 H)-ones.
Ullah N
Journal of Enzyme Inhibition and Medicinal Chemistry, 29(2), 281-291 (2014)
Conformationally rigid derivatives of WAY-267,464: Synthesis and pharmacology at the human oxytocin and vasopressin-1a receptors.
Jorgensen WT, et al.
European Journal of Medicinal Chemistry, 143, 1644-1656 (2018)
Synthesis and biological evaluation of new 2-(6-alkyl-pyrazin-2-yl)-1H-benz [d] imidazoles as potent anti-inflammatory and antioxidant agents.
Shankar B, et al.
Medicinal Chemistry Research, 26(9), 1835-1846 (2017)
Nisar Ullah
Journal of enzyme inhibition and medicinal chemistry, 29(2), 281-291 (2013-03-16)
A series of new 5-piperidinyl and 5-piperazinyl-1H-benzo[d]imidazol-2(3H)-ones have been synthesized and evaluated for dual D2 and 5-HT1A receptor binding affinities. The synthesized ligands are structurally related to bifeprunox, a potential atypical antipsychotic, having potent D2 receptor antagonist and 5-HT1A receptor
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