CAS No.3060-41-1,3-Amino-4-phenylbutyric acid hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3060-41-1
Name:	3-Amino-4-phenylbutyric acid hydrochloride
Article Data:	13

Formula:	C₁₀H₁₄ClNO₂
Molecular Weight:	215.68
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;
Density:	1.161g/cm3
Melting Point:	194-201 °C
Boiling Point:	327.8 °C at 760 mmHg
Flash Point:	152.1 °C
Appearance:	White crystalline powder
PSA:	63.32000
LogP:	2.53340

Synthetic route

: C11H11N3O3

: 3060-41-1
(±)-3-carboxy-2-phenylpropan-1-aminium chloride

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Yield

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

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Chemistry

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

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.

Safety Profile

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