1-Boc-4-piperidone - CAS 79099-07-3
Catalog: |
BB036288 |
Product Name: |
1-Boc-4-piperidone |
CAS: |
79099-07-3 |
Synonyms: |
tert-Butyl 4-oxo-1-piperidinecarboxylate4-Oxo-Piperidine-1-carboxylic acid tert-butyl ester; N-Boc-4-piperidone |
IUPAC Name: | tert-butyl 4-oxopiperidine-1-carboxylate |
Description: | 1-Boc-4-piperidone (CAS# 79099-07-3) is a compound useful in organic synthesis used in the preparation of (aminoaryl)(benzyloxy)pyridines as potential antitumor agents. |
Molecular Weight: | 199.24 |
Molecular Formula: | C10H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(=O)CC1 |
InChI: | InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4-7H2,1-3H3 |
InChI Key: | ROUYFJUVMYHXFJ-UHFFFAOYSA-N |
Boiling Point: | 336.77 °C (rough estimate) |
Melting Point: | 72-79 °C |
Purity: | ≥ 98 % (HPLC) |
Density: | 1.1249 g/cm3 (rou gh estimate) |
Appearance: | White to off-white to yellow solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00151800 |
LogP: | 1.52430 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23094717 | 20121102 | Rh-catalyzed addition of arylboroxines to cyclic N-(isopropanesulfinyl)ketimines | The Journal of organic chemistry |
19557802 | 20090801 | Synthesis and evaluation of 1-(1-(Benzo[b]thiophen-2-yl)cyclohexyl)piperidine (BTCP) analogues as inhibitors of trypanothione reductase | ChemMedChem |
21581872 | 20090108 | tert-Butyl 3-[N-(tert-butoxy-carbonyl)methyl-amino]-4-methoxy-imino-3-methyl-piperidine-1-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
18232646 | 20080301 | Design and synthesis of propeller-shaped dispiroisoxazolinopiperidinochromanones | Journal of combinatorial chemistry |
11886286 | 20020301 | Templates for exploratory library preparation. Derivatization of a functionalized spirocyclic 3,6-dihydro-2H-pyran formed by ring-closing metathesis reaction | Journal of combinatorial chemistry |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.12084340 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.12084340 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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