Phenibut(CAS NO. 1078-21-3)

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CAS number: 1078-21-3

English name: Phenibut

English alias: PhenibutHCL; 4-AMINO-3-PHENYLBUTYRICACIDHL; 4-AMINO-3-PHENYLBUTANOICACIDHDROCHLORIDE; FENIBUT; Phenycut; PhenoibutPowder; Fenigam; Phenylgam; Aminophenylbutyricacid; 4-AMINO-3-PHENYLBUTIRICACChemicalbookID

Molecular formula: C10H13NO2

Molecular weight: 179.22MOLFile: 1078-21-3.mol

Melting point: 252.5 ° C (roughestimate)

Boiling point: 311.75 ° C (roughestimate)

Density: 1.1248 (roughestimate)

Refractive index: 1.5710 (estimate)

Solubility: Freebase: 35mg/LinDMSO (195.29mM) at 25 ° C (SellekChem, 2019) Hydrochloridesalt (Cayman, 2016): 25mgChemicalbook/mlinDMF; 20mg/linDMSO; 14mg/mlinethanol; 10mg/mLinPBS (pH 7.2)

Acidity coefficient (pKa): 4.10 ± 0.10 (Predicted)

Color: White

InchI: InchI=1S/C10H13NO2/c11-7-9 (6-10 (12) 13) 8-4-2-3-5-8/h1-5,9H, 6-7,11H2, (H, 12,13)

Application: 4-Amino-3-phenylbutyrate hydrochloride, often used in the preparation of antidepressants, is a very important pharmaceutical intermediate that can be used in laboratory research and development processes and chemical and pharmaceutical production processes.

Preparation: Benzoyl chloride and ethyl acetoacetate are used as raw materials. Benzoyl ethyl acetate is condensed and hydrolyzed, followed by the condensation of benzaldehyde and nitromethane to produce trans nitrostyrene. The two are then added by Michel addition, and the addition product is catalyzed by Raney nickel for hydrogenation. Finally, it is hydrolyzed in concentrated acid to produce non Nibute. Bioactive Phenoibut (Aminophenylbutyricacid, Fenibut, Phenoigam, Phenoybut, PhGABA), β- Phenol- γ- Amino butyric acid, β- Phenol GABA, as a GABA analogue, is a sedative targeting the central nervous system and has anti anxiety and sedative effects.