1-Amino-1-phenylpropan-2-one hydrochloride

Base Information

• Chemical Name: 1-Amino-1-phenylpropan-2-one hydrochloride
• CAS No.: 3904-16-3
• Molecular Formula: C9H11NO^.HCl
• Molecular Weight: 185.653
• Hs Code.: 2922399090
• European Community (EC) Number: 834-372-8
• DSSTox Substance ID: DTXSID40383869
• Mol file: 3904-16-3.mol

Synonyms:3904-16-3;1-amino-1-phenylpropan-2-one hydrochloride;1-Amino-1-phenylacetone hydrochloride;1-Amino-1-phenylacetone, HCl;1-amino-1-phenylpropan-2-one;hydrochloride;1-amino-1-phenyl-propan-2-on hydrochloride;1-amino-1-phenylpropan-2-one,hydrochloride;SCHEMBL3954994;DTXSID40383869;PLWANCOYVAFWCA-UHFFFAOYSA-N;1-Amino-1-phenylpropan-2-one HCl;1-AMINO-1-PHENYLACETONE HCL;MFCD01934460;AKOS015844043;1-amino-1-phenyl-2-propanone hydrochloride;CS-0155154;FT-0649986;N13201;EN300-6743791;A824382;J-504177;Z3234810419

Chemical Property of 1-Amino-1-phenylpropan-2-one hydrochloride

Chemical Property:

• Vapor Pressure: 0.0506mmHg at 25°C
• Boiling Point: 235.2 °C at 760 mmHg
• Flash Point: 96.1 °C
• PSA: 43.09000
• LogP: 2.77770
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.0607417
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99%, ^*data from raw suppliers

1-Amino-1-phenylacetone hydrochloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C1=CC=CC=C1)N.Cl

Technology Process of 1-Amino-1-phenylpropan-2-one hydrochloride

There total 4 articles about 1-Amino-1-phenylpropan-2-one 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: 93.0%

1-phenyl-propane-1,2-dione 1-oxime (25355-34-4) → 1-amino-1-phenyl-propan-2-on hydrochloride (3904-16-3)

Guidance literature:

With hydrogenchloride; hydrogen; platinum on activated charcoal; In methanol; Ambient temperature;

Reference yield:

2-(α-aminobenzyl)-2-methyl-1,3-dioxolane + N-Phenylglycine (103-01-5) → 1-amino-1-phenyl-propan-2-on hydrochloride (3904-16-3)

Guidance literature:

With pyridine; hydrogenchloride; acetic anhydride; In toluene;

Reference yield:

1-phenyl-acetone (103-79-7,136675-26-8) → 1-amino-1-phenyl-propan-2-on hydrochloride (3904-16-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / HCl, isoamyl nitrite / diethyl ether / Ambient temperature; from 0 deg C up to r.t., overnight

2: 66 percent / H₂, 10percent HCl / 10percent Pd/C / ethanol / 760 Torr / Ambient temperature

With hydrogenchloride; hydrogen; isopentyl nitrite; palladium on activated charcoal; In diethyl ether; ethanol;

upstream raw materials:

1-phenyl-propane-1,2-dione 1-oxime

1-phenyl-acetone

N-Phenylglycine

Downstream raw materials:

2-hydroxy-1-phenylpropylamine

7-(dimethylamino)-3-methyl-2-phenylchromeno[4,3-b]pyrrol-4(1H)-one

4-((2-oxo-1-phenylpropyl)amino)-3-acetyl-7-dimethylaminocoumarin

4-((2-oxo-1-phenylpropyl)amino)-3-benzoyl-7-dimethylaminocoumarin

Refernces

• 1、 -. "Anti-tumor compounds". . . Retrieved 2008/06/13.
• 2、 Fitton, Alan O.,Muzanila, Charles N.,Odusanya, Olubunmi M.,Oppong-Boachie, Francis K.,Duckworth, Stephen J.,Hadi, A. Hamid b. A.. "Cyclisation of 1-Aryl-1-benzamidopropan-2-ols. Formation of 4,4-Dihydro-oxazoles, rearranged 4,5-Dihydro-oxazoles and Isoquinolines.". . p. 2701 - 2719. Retrieved 2007/10/02.