2,4-Piperidinedione - CAS 50607-30-2
Catalog: |
BB027136 |
Product Name: |
2,4-Piperidinedione |
CAS: |
50607-30-2 |
Synonyms: |
piperidine-2,4-dione |
IUPAC Name: | piperidine-2,4-dione |
Description: | 2,4-Piperidinedione (CAS# 50607-30-2) is a reactant in the synthesis of 1,4-dihydropyridines as TGFβ/Smad inhibitors. |
Molecular Weight: | 113.11 |
Molecular Formula: | C5H7NO2 |
Canonical SMILES: | C1CNC(=O)CC1=O |
InChI: | InChI=1S/C5H7NO2/c7-4-1-2-6-5(8)3-4/h1-3H2,(H,6,8) |
InChI Key: | RDNZDMDLRIQQAX-UHFFFAOYSA-N |
Boiling Point: | 362.1 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.184 g/cm3 |
LogP: | -0.20570 |
GHS Hazard Statement: | H302 (99.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111393440-A | Method for preparing pharmaceutical intermediate 5,10-diaryl pyrido [4,3-b ] [1,6] naphthyridine derivative | 20200508 |
CN-111393440-B | Method for preparing pharmaceutical intermediate 5,10-diaryl pyrido [4,3-b ] [1,6] naphthyridine derivative | 20200508 |
WO-2021198020-A1 | 3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer | 20200331 |
WO-2021180147-A1 | Influenza virus inhibitor | 20200313 |
JP-2021119130-A | A drug consisting of a fused lactam derivative | 20200129 |
PMID | Publication Date | Title | Journal |
21522933 | 20110108 | (R)-(+)-Dimeth-yl[4-oxido-2-oxo-1-(1-phenyl-eth-yl)-1,2,5,6-tetra-hydro-pyridin-3-yl]sulfonium | Acta crystallographica. Section E, Structure reports online |
18302416 | 20080321 | Preparation and intramolecular [2+2]-photocycloaddition of 1,5-dihydropyrrol-2-ones and 5,6-dihydro-1H-pyridin-2-ones with C-, N-, and O-linked alkenyl side chains at the 4-position | The Journal of organic chemistry |
16968083 | 20060920 | A quantitative structure-activity relationship study of herbicidal analogues of alpha-hydroxy-substituted 3-benzylidenepyrrolidene-2,4-diones | Journal of agricultural and food chemistry |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.047678466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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