2-Phenylpropan-1-amine hydrochloride

Base Information

• Chemical Name: 2-Phenylpropan-1-amine hydrochloride
• CAS No.: 20388-87-8
• Molecular Formula: C9H14ClN
• Molecular Weight: 171.67
• Hs Code.: 2921499090
• European Community (EC) Number: 872-275-2
• UNII: UE6X81QXLS
• DSSTox Substance ID: DTXSID00942557
• Wikidata: Q27291040
• Mol file: 20388-87-8.mol

Synonyms:2-phenylpropan-1-amine hydrochloride;20388-87-8;52991-03-4;beta-Methylphenethylamine hydrochloride;Phenethylamine, beta-methyl-, hydrochloride, (+-)-;2-Phenylpropylamine hydrochloride;2-phenylpropan-1-amine;hydrochloride;Phenethylamine, beta-methyl-, hydrochloride;UE6X81QXLS;dl-beta-Phenyl-n-propylamine hydrochloride;(+-)-beta-Methylphenethylamine hydrochloride;2-PHENYLPROPAN-1-AMINE HCL;(R)-beta-Methylphenylethanamine Hydrochloride;2-phenyl-1-propylamine HCl;MFCD11113787;UNII-UE6X81QXLS;SCHEMBL337907;2-phenyl-propylamine HCl salt;Beta-MethylphenylethylaMine HCl;DTXSID00942557;beta-Methylphenylamine hydrochloride;beta-methyl-phenethylaminhydrochloride;MFCD01708026;AKOS015888175;CS-W005394;DS-1852;SB36724;Beta-methylphenylethylamine hydrochloride;SY017826;LS-103638;LS-103639;FT-0774553;Phenethylamine, .beta.-methyl-, hydrochloride;EN300-134405;2-PHENYL-1-PROPANAMINE MONOHYDROCHLORIDE;Benzeneethanamine, .beta.-methyl-, hydrochloride;.BETA.-METHYLBENZENEETHANAMINE HYDROCHLORIDE;2-Phenylpropan-1-amine--hydrogen chloride (1/1);A879653;2-PHENYLPROPYLAMINE HYDROCHLORIDE, (+/-)-;Benzeneethanamine, beta-methyl-, hydrochloride (1:1);Q27291040;Z1741979343;BENZENEETHANAMINE, .BETA.-METHYL-, HYDROCHLORIDE (1:1)

Chemical Property of 2-Phenylpropan-1-amine hydrochloride

Chemical Property:

• Vapor Pressure: 0.197mmHg at 25°C
• Melting Point: 143-144℃
• Boiling Point: 210 °C at 760 mmHg
• Flash Point: 84.6 °C
• PSA: 26.02000
• LogP: 3.25110
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 171.0814771
• Heavy Atom Count: 11
• Complexity: 84.7

Purity/Quality:

98% ^*data from raw suppliers

β-MethylphenethylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)C1=CC=CC=C1.Cl
• Description: BMPEA is a phenethylamine compound and positional isomer of amphetamine that has been found in nutritional supplements and classified as a novel doping substance. It acts as an agonist of the human trace amine-associated receptor 1 (EC50s = 325 and 104 nM for R(+) and S(-) isomers, respectively). This product is intended for forensic and research purposes.
• Uses: 2-phenyl-1-propylamine hydrochloride is an amine organic compound, which can be used as pharmaceutical intermediates.

Technology Process of 2-Phenylpropan-1-amine hydrochloride

There total 5 articles about 2-Phenylpropan-1-amine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 76.2%

1-phenylethyl cyanide (1823-91-2) → rac-β-methylphenethylamine hydrochloride (20388-87-8,52991-03-4)

Guidance literature:

With hydrogenchloride; hydrogen; 5%-palladium/activated carbon; In ethanol; water; at 50 - 64 ℃; for 3h; under 3878.71 - 4033.86 Torr;

Reference yield: 76.2%

tert-butyl methyl ether (1634-04-4) + 1-phenylethyl cyanide (1823-91-2) → rac-β-methylphenethylamine hydrochloride (20388-87-8,52991-03-4)

Guidance literature:

With hydrogenchloride; palladium; In ethanol;

Reference yield:

2-phenylpropylamine (582-22-9) → rac-β-methylphenethylamine hydrochloride (20388-87-8,52991-03-4)

Guidance literature:

With hydrogenchloride; In water; for 1h; Cooling with ice;

DOI:10.1021/acs.chemmater.0c02729

upstream raw materials:

2-phenylpropylmagnesium bromide

1-phenylethyl cyanide

tert-butyl methyl ether

2-phenylpropylamine

Downstream raw materials:

N-(2-phenylpropyl)-4-(trifluoromethyl)benzamide

2-phenylpropylamine

Refernces

• 1、 -. "TRP-M8 RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS". Page/Page column 70. . Retrieved 2009/07/17.
• 2、 Kitamura, Mitsuru,Suga, Takahiro,Chiba, Shunsuke,Narasaka, Koichi. "Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime". . p. 4619 - 4621. Retrieved 2007/10/03.