N-(2-Phenylethyl)acetamide

Base Information

• Chemical Name: N-(2-Phenylethyl)acetamide
• CAS No.: 877-95-2
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• Hs Code.: 29241900
• European Community (EC) Number: 212-897-8
• NSC Number: 7177
• UNII: 2JXY218SZI
• DSSTox Substance ID: DTXSID50236574
• Nikkaji Number: J101.475G
• Wikidata: Q27102876
• Metabolomics Workbench ID: 51181
• ChEMBL ID: CHEMBL99827
• Mol file: 877-95-2.mol

Synonyms:Acetamide, N-phenethyl;AI3-22087;N-acetyl-2-phenylethylamine

Chemical Property of N-(2-Phenylethyl)acetamide

Chemical Property:

• Appearance/Colour: white to off-white low melting mass
• Vapor Pressure: 5.69E-05mmHg at 25°C
• Melting Point: 48-52 °C
• Refractive Index: 1.516
• Boiling Point: 346.6 °C at 760 mmHg
• PKA: 16.17±0.46(Predicted)
• Flash Point: 204 °C
• PSA: 29.10000
• Density: 1.012 g/cm³
• LogP: 1.75610
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(2-Phenylethyl)acetamide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NCCC1=CC=CC=C1
• Uses: N-(2-Phenylethyl)acetamide can be used as an antimicrobial agent for aquaculture.

Technology Process of N-(2-Phenylethyl)acetamide

There total 91 articles about N-(2-Phenylethyl)acetamide 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: 100.0%

acetic anhydride (108-24-7) + phenethylamine (64-04-0) → methyl-N-(benzyl-methyl)-formamide (877-95-2)

Guidance literature:

With pyridine; at 20 ℃; for 12h;

Reference yield: 100.0%

ethyl acetate (141-78-6) + phenethylamine (64-04-0) → methyl-N-(benzyl-methyl)-formamide (877-95-2)

Guidance literature:

With acetic acid; at 70 ℃; for 24h; Reagent/catalyst; Temperature; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.02.015

Reference yield: 100.0%

Isopropenyl acetate (108-22-5) + phenethylamine (64-04-0) → methyl-N-(benzyl-methyl)-formamide (877-95-2)

Guidance literature:

In neat (no solvent); at 20 ℃; for 3h; Green chemistry;

DOI:10.1080/00397911.2014.898072

upstream raw materials:

4-Phenyl-2-butanone

acetic anhydride

phenylacetonitrile

phenethylamine

Downstream raw materials:

N-nitroso-N-phenethyl-acetamide

sulfonyl chloride

N-<2-(4-nitrophenyl)ethyl>acetamide

N-(2-nitro-phenethyl)-acetamide

Refernces

• 1、 Dev, Dharm,Kalita, Tapasi,Mondal, Tanmay,Mandal, Bhubaneswar. "Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino) Acetate (ortho-NosylOXY)-Mediated Double Beckmann Rearrangement of Ketoximes under Microwave Irradiation: A Mechanistic Perception". . p. 1427 - 1435. Retrieved 2021/01/04.
• 2、 Tamura, Satoru,Sugawara, Aoi,Sato, Erika,Sato, Fuka,Sato, Keigo,Kawano, Tomikazu. "New approach for induction of alkyl moiety to aliphatic amines by NaBH(OAc)3 with carboxylic acid". supporting information. . Retrieved 2020/04/15.