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3-Amino-4-phenylbutyric acid hydrochloride
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Name

3-Amino-4-phenylbutyric acid hydrochloride

 EINECS N/A
CAS No. 3060-41-1 Density 1.161g/cm3
PSA 63.32000 LogP 2.53340
Solubility N/A Melting Point 194-201 °C
Formula C10H14ClNO2 Boiling Point 327.8 °C at 760 mmHg
Molecular Weight 215.68 Flash Point 152.1 °C
Transport Information N/A Appearance White crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3060-41-1 (3-Amino-4-phenylbutyric acid hydrochloride) Hazard Symbols N/A
Synonyms

Benzenepropanoicacid, b-(aminomethyl)-, hydrochloride(9CI);Hydrocinnamic acid, b-(aminomethyl)-, hydrochloride (6CI,7CI,8CI);4-Amino-3-phenylbutanoicacid hydrochloride;b-Phenyl-GABA hydrochloride;g-Amino-b-phenylbutyricacid hydrochloride;

Article Data 13

3-Amino-4-phenylbutyric acid hydrochloride Synthetic route

C11H11N3O3

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Stage #1: C11H11N3O3 In tetrahydrofuran at 60℃; for 3h; Inert atmosphere;
Stage #2: With hydrogenchloride In tetrahydrofuran; water at 20℃; for 1.5h; Inert atmosphere;		91%

C17H19NO2*ClH

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr;90%
1198-97-6

4-phenylpyrrolidin-2-one

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
With hydrogenchloride; water for 12h; Reflux;88%
With hydrogenchloride In water for 12h; Reflux;88%
With hydrogenchloride In water for 16h; Sealed tube; Reflux;65%
With hydrogenchloride; water In water for 16h; Reflux;55%

diethyl 2-(2-((tert-butoxycarbonyl)amino)-1-phenylethyl)malonate

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Stage #1: diethyl 2-(2-((tert-butoxycarbonyl)amino)-1-phenylethyl)malonate With hydrogenchloride In water at 120℃; for 1h; Inert atmosphere; Schlenk technique;
Stage #2: In water at 120℃; for 0.333333h; Inert atmosphere; Schlenk technique;		88%

C13H17NO3

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
With hydrogenchloride In water for 8h; Reflux;87%
71639-13-9

diethyl 2-(3-nitrophenylethyl)malonate

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
With hydrogenchloride; hydrogen; palladium on activated charcoal In isopropyl alcohol at 50℃; under 6840 - 7600 Torr; for 3h;2.85 g

3-chloro-5-hydroxy-4-phenylfuran-2(5H)-one

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: acetic acid / chloroform / 1 h / 0 - 20 °C
1.2: 20 °C
2.1: trifluoroacetic acid / 1,2-dichloro-ethane / 2 h / 80 °C
3.1: nickel dichloride; sodium tetrahydroborate / methanol; tetrahydrofuran / 1 h / 0 - 20 °C
4.1: hydrogenchloride; water / water / 16 h / Reflux
View Scheme

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

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: trifluoroacetic acid / 1,2-dichloro-ethane / 2 h / 80 °C
2: nickel dichloride; sodium tetrahydroborate / methanol; tetrahydrofuran / 1 h / 0 - 20 °C
3: hydrogenchloride; water / water / 16 h / Reflux
View Scheme

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

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nickel dichloride; sodium tetrahydroborate / methanol; tetrahydrofuran / 1 h / 0 - 20 °C
2: hydrogenchloride; water / water / 16 h / Reflux
View Scheme
98-80-6

phenylboronic acid

3060-41-1

(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: cesium fluoride; tetrabutyl-ammonium chloride; bis-triphenylphosphine-palladium(II) chloride / toluene; water / 18 h / 20 °C / Inert atmosphere
2.1: acetic acid / chloroform / 1 h / 0 - 20 °C
2.2: 20 °C
3.1: trifluoroacetic acid / 1,2-dichloro-ethane / 2 h / 80 °C
4.1: nickel dichloride; sodium tetrahydroborate / methanol; tetrahydrofuran / 1 h / 0 - 20 °C
5.1: hydrogenchloride; water / water / 16 h / Reflux
View Scheme

3-Amino-4-phenylbutyric acid hydrochloride Chemical Properties

Product Name: 3-Amino-4-phenylbutyric acid hydrochloride
Synonyms: Fenibut ; 4-Amino-3-phenylbutiric acid ; 4-Amino-3-phenyl-butyric acid ; 3-Amino-4-phenylbutyric acid hydrochloride ; Phenibut ; Timtec-bb sbb001567 ; 3-Amino-4-phenylbutyric acid HCL ; Phenibut(4-Amino-3-Phenylbutanoic Acid HCl)
Molecular Structure of P-Gaba hydrochloride (CAS NO.3060-41-1) :
Molecular Formula of P-Gaba hydrochloride (CAS NO.3060-41-1) : C10H14ClNO2
Molecular Weight of P-Gaba hydrochloride (CAS NO.3060-41-1) : 215.68
CAS NO: 3060-41-1
Flash Point: 152.1 °C
Enthalpy of Vaporization: 60.18 kJ/mol
Boiling Point: 327.8 °C at 760 mmHg
Vapour Pressure: 7.98E-05 mmHg at 25°C
Melting point 194-201 ºC

3-Amino-4-phenylbutyric acid hydrochloride Toxicity Data With Reference

1.    

ipr-rat LD50:900 mg/kg

     PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),1703.
2.    

ipr-mus LD50:1000 mg/kg

     PCJOAU    Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 10 (1976),1703.

3-Amino-4-phenylbutyric acid hydrochloride Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

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