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Name	4-Phenyl-2-pyrrolidinone	EINECS	N/A
CAS No.	1198-97-6	Density	1.108g/cm³
PSA	29.10000	LogP	1.61890
Solubility	N/A	Melting Point	72.0～78.0℃
Formula	C10H11 N O	Boiling Point	362.3°Cat760mmHg
Molecular Weight	161.203	Flash Point	212.4°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	4-Phenyl-2-pyrrolidinone;4-Phenyl-2-pyrrolidone; b-Phenyl-g-aminobutyricacid lactam	Article Data	35

4-Phenyl-2-pyrrolidinone Synthetic route

: 77519-55-2
2-oxo-4-phenylpyrrolidine-3-carboxylic acid

: 1198-97-6
4-phenylpyrrolidin-2-one

Conditions

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

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℃;

: 3-chloro-4-phenyl-1H-pyrrol-2(5H)-one

: 1198-97-6
4-phenylpyrrolidin-2-one

Conditions

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

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;

: C11H11N3O3

: 1198-97-6
4-phenylpyrrolidin-2-one

Conditions

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%

: 4-nitro-3-phenylbutanoic acid ethyl ester

: 1198-97-6
4-phenylpyrrolidin-2-one

Conditions

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

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

Conditions	Yield
With polymer-supported borohydride resin; nickel dichloride In dichloromethane at 20℃;	60%

: 4-(1,3-dioxoisoindolin-2-yl)-3-phenyl-N-(quinolin-8-yl)butanamide

: 1198-97-6
4-phenylpyrrolidin-2-one

Conditions

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

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

4-Phenyl-2-pyrrolidinone Chemical Properties

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

4-Phenyl-2-pyrrolidinone 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.

4-Phenyl-2-pyrrolidinone Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NO_x.

4-Phenyl-2-pyrrolidinone 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 .

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