Phenethylamine

Base Information

• Chemical Name: Phenethylamine
• CAS No.: 64-04-0
• Molecular Formula: C8H11N
• Molecular Weight: 121.182
• Hs Code.: 29214980
• European Community (EC) Number: 200-574-4
• NSC Number: 10811
• UNII: 327C7L2BXQ
• DSSTox Substance ID: DTXSID5058773
• Nikkaji Number: J4.833J
• Wikipedia: Phenethylamine
• Wikidata: Q407411
• Metabolomics Workbench ID: 41966
• ChEMBL ID: CHEMBL610
• Mol file: 64-04-0.mol

Synonyms:2-phenethylamine;2-phenylethylamine;2-phenylethylammonium chloride;beta-phenethylamine;beta-phenylethylamine;diphenethylamine sulfate;phenethylamine;phenethylamine conjugate acid;phenethylamine hydrobromide;phenethylamine hydrochloride;phenethylamine mesylate;phenethylamine perchlorate;phenethylamine sulfate;phenethylamine sulfate (2:1);phenethylamine tosylate;phenethylamine, 15N-labeled cpd;phenethylamine, beta-(14)C-labeled cpd;phenethylamine, monolithium salt

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Chemical Property of Phenethylamine

Chemical Property:

• Appearance/Colour: colourless or slightly yellow liquid
• Vapor Pressure: 0.398mmHg at 25°C
• Melting Point: -60 °C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 196.455 °C at 760 mmHg
• PKA: 9.84(at 25℃)
• Flash Point: 90.556 °C
• PSA: 26.02000
• Density: 0.962 g/cm³
• LogP: 1.88810
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: alcohol: freely soluble(lit.)
• Water Solubility.: SOLUBLE
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089149355
• Heavy Atom Count: 9
• Complexity: 65

Purity/Quality:

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC=C(C=C1)CCN
• Uses: Phenethylamine is used in manufacturing anti-depression agents and anti diabetic drugs. It is also used as the goodds for drug jiangtangling intermediate, also used for other organic synthesis.

Technology Process of Phenethylamine

There total 295 articles about Phenethylamine 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: 91.0%

Phenethyl-[2,2,2-trifluoro-1-phenyl-eth-(Z)-ylidene]-amine (141903-88-0) → 2,2,2-Trifluoroacetophenone (434-45-7) + phenethylamine (64-04-0)

Guidance literature:

With water; boric acid; In ethanol; at 80 ℃; for 8h;

DOI:10.1021/ja00071a017

Reference yield: 91.0%

N-cyclohexyl-1-phenyl-2,2,2-trifluoroethylideneamine (84452-37-9) → 2,2,2-Trifluoroacetophenone (434-45-7) + phenethylamine (64-04-0)

Guidance literature:

With water; boric acid; In ethanol; at 80 ℃; for 8h; Title compound not separated from byproducts;

DOI:10.1021/ja00071a017

Reference yield: 60.0%

methanol (67-56-1) + phenethyl azide (6926-44-9) → phenethylamine (64-04-0) + N-Methyl-N-phenethylamine (589-08-2)

Guidance literature:

With trans-RuCl(phenpyra-Me)(PPh₃)₂PF₆; sodium hydroxide; at 125 ℃; for 5h; Sealed tube; Inert atmosphere; Glovebox;

DOI:10.1039/c8gc00863a

upstream raw materials:

O-Methylhydroxylamin

phenethylmagnesium chloride

2-bromoethylamine

acridine

Downstream raw materials:

2-phenethylamino-ethanethiol

N-(2-phenylethyl)pyrrolidin-2-one

furfural-phenethylimine

4-(phenethylamino)pyridine

Refernces

• 1、 Lee et al.. "-". . p. 276. Retrieved 1957.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.
• 3、 Gupta, Ajay,Gupta, Shalini,Mahawar, Pritam,Prasad, Puja,Sasmal, Pijus K.,Singh, Neelu. "Iridium-Triggered Allylcarbamate Uncaging in Living Cells". supporting information. p. 12644 - 12650. Retrieved 2021/09/06.