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| CAS No.: | 1198-97-6 |
|---|---|
| Name: | 4-Phenyl-2-pyrrolidinone |
| Article Data: | 35 |
| Molecular Structure: | |
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|
|
| Formula: | C10H11 N O |
| Molecular Weight: | 161.203 |
| Synonyms: | 4-Phenyl-2-pyrrolidinone;4-Phenyl-2-pyrrolidone; b-Phenyl-g-aminobutyricacid lactam |
| Density: | 1.108g/cm3 |
| Melting Point: | 72.0～78.0℃ |
| Boiling Point: | 362.3°Cat760mmHg |
| Flash Point: | 212.4°C |
| Safety: | Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 29.10000 |
| LogP: | 1.61890 |
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- 77519-55-2
2-oxo-4-phenylpyrrolidine-3-carboxylic acid
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| In toluene for 5h; Reflux; | 100% |
| at 190℃; for 0.5h; | 58% |
| at 175℃; |
- 34687-03-1
4-nitro-3-phenylbutanoic acid methyl ester
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 60℃; under 45004.5 Torr; | 92% |
| With hydrogen; platinum(IV) oxide In methanol for 20h; | 72% |
| With hydrogen; nickel In methanol at 60℃; |
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran; methanol at 0 - 20℃; for 1h; | 92% |
- 41441-40-1
ethyl 3-phenyl-4-nitrobutanoate
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel(II) chloride hexahydrate In ethanol at 0℃; for 2h; | 88% |
| With sodium tetrahydroborate; nickel(II) chloride hexahydrate In ethanol at 0℃; for 2h; | 82% |
| With hydrogen; palladium on activated charcoal 1.) 2.) toluene, reflux; Yield given. Multistep reaction; | |
| Stage #1: ethyl 3-phenyl-4-nitrobutanoate With hydrogen In ethanol at 20℃; under 1034.32 Torr; Stage #2: In ethanol; toluene Reflux; |
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: C11H11N3O3 In chloroform at 60℃; for 3h; Inert atmosphere; Stage #2: With dmap In chloroform at 20℃; for 2h; Inert atmosphere; | 87% |
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; nickel(II) chloride hexahydrate; water In dichloromethane at -10 - 30℃; for 5h; Concentration; Reagent/catalyst; Temperature; | 85% |
- 84872-79-7
4-amino-3-phenylbutanoic acid methyl ester
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol Reflux; | 83% |
- 866789-27-7
(+/-)-4-nitro-3-phenylbutyric acid 4'-(4-nitro-3-phenylbutyryloxymethyl)-[2,2']bipyridinyl-4-ylmethyl ester
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With polymer-supported borohydride resin; nickel dichloride In dichloromethane at 20℃; | 60% |
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 95℃; for 6h; Sealed tube; | 59% |
- 14025-83-3
3-cyano-3-phenylpropanoic acid ethyl ester
- 1198-97-6
4-phenylpyrrolidin-2-one
| Conditions | Yield |
|---|---|
| Stage #1: 3-cyano-3-phenylpropanoic acid ethyl ester With sodium tetrahydroborate; cobalt(II) chloride hexahydrate In tetrahydrofuran; water at 0 - 20℃; for 72h; Stage #2: With ammonia In tetrahydrofuran; water | 57% |
| Multi-step reaction with 2 steps 1: H2, conc. HCl / 10percent Pd/C / methanol / 2068.6 Torr 2: Et3N / toluene / Heating View Scheme |
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Chemistry
Empirical Formula of 4-Phenylpyrrolidone-2 (CAS NO.1198-97-6): C10H11NO
Molecular Weight: 161.2004 g/mol
Index of Refraction: 1.55
Density: 1.108 g/cm3
Flash Point: 212.4 °C
Enthalpy of Vaporization: 60.82 kJ/mol
Boiling Point: 362.3 °C at 760 mmHg
Vapour Pressure: 1.96E-05 mmHg at 25 °C
Structure of 4-Phenylpyrrolidone-2 (CAS NO.1198-97-6):
IUPAC Name of 4-Phenylpyrrolidone-2 (CAS NO.1198-97-6): 4-Phenylpyrrolidin-2-one
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 352mg/kg (352mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ANALGESIA | Russian Pharmacology and Toxicology Vol. 44, Pg. 22, 1981. |
| mouse | LD50 | intraperitoneal | 325mg/kg (325mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Archivum Immunologiae et Therapiae Experimentalis. Vol. 23, Pg. 733, 1975. |
| mouse | LD50 | unreported | 352mg/kg (352mg/kg) | AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE WEAKNESS | Pharmaceutical Chemistry Journal Vol. 14, Pg. 776, 1980. |
Safety Profile
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
Specification
4-Phenylpyrrolidone-2 ,its cas register number is 1198-97-6. It also can be called 4-Phenyl-2-pyrrolidinone ; 2-Pyrrolidinone, 4-phenyl- ;and Phenylpyrrolidone .