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CAS No.: | 3060-41-1 |
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Name: | 3-Amino-4-phenylbutyric acid hydrochloride |
Article Data: | 13 |
Molecular Structure: | |
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 |
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
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% |
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; | 90% |
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% |
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
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% |
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
Conditions | Yield |
---|---|
With hydrogenchloride In water for 8h; Reflux; | 87% |
diethyl 2-(3-nitrophenylethyl)malonate
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen; palladium on activated charcoal In isopropyl alcohol at 50℃; under 6840 - 7600 Torr; for 3h; | 2.85 g |
(±)-3-carboxy-2-phenylpropan-1-aminium chloride
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-carboxy-2-phenylpropan-1-aminium chloride
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-carboxy-2-phenylpropan-1-aminium chloride
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 |
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 |
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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
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. |
Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.