4-Phenyl-2-pyrrolidone - CAS 1198-97-6
Catalog: |
BB004679 |
Product Name: |
4-Phenyl-2-pyrrolidone |
CAS: |
1198-97-6 |
Synonyms: |
4-phenyl-2-pyrrolidinone; 4-phenylpyrrolidin-2-one |
IUPAC Name: | 4-phenylpyrrolidin-2-one |
Description: | is used in the preparation of oxotremorine analogs as muscarinic antagonists. Also used in the synthesis of purrolidinylidemeureas as agents that act on the CNS. |
Molecular Weight: | 161.20 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1C(CNC1=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C10H11NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12) |
InChI Key: | HOJZEMQCQRPLQQ-UHFFFAOYSA-N |
Boiling Point: | 362.3 °C at 760 mmHg |
Density: | 1.108 g/cm3 |
Solubility: | >24.2 [ug/mL] (The mean of the results at pH 7.4) |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD01687226 |
LogP: | 1.61890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112608267-A | Synthetic method of 4-phenyl-2-pyrrolidone | 20201223 |
CN-110804061-A | Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof | 20191113 |
CN-110804061-B | Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof | 20191113 |
RU-2711655-C1 | Method for large-scale synthesis of potassium salt of 2-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamido]ethane sulphonic acid | 20190913 |
RU-2732245-C1 | Novel compositions of n-carbamoylmethyl-4-phenyl-2-pyrrolidone for treating and preventing obesity | 20190830 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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Pyrrolidines
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