n-(2-Methyl-1-phenylpropan-2-yl)acetamide

Base Information

• Chemical Name: n-(2-Methyl-1-phenylpropan-2-yl)acetamide
• CAS No.: 5531-33-9
• Molecular Formula: C12H17 N O
• Molecular Weight: 191.273
• Hs Code.: 2924299090
• European Community (EC) Number: 611-254-2
• NSC Number: 103909
• DSSTox Substance ID: DTXSID20295678
• Wikidata: Q82035736
• Mol file: 5531-33-9.mol

Synonyms:n-(2-methyl-1-phenylpropan-2-yl)acetamide;5531-33-9;N-(1,1-Dimethyl-2-phenylethyl)acetamid;(N-(2-methyl-1-phenyl-2 propanyl) acetamide;EC 611-254-2;NSC 103909;N-(1,1-Dimethyl-2-phenylethyl)acetamide;N-Acetylphentermine;Phentermine, acetyl;NSC103909;NCIOpen2_001624;SCHEMBL6514301;DTXSID20295678;AKOS015999874;NSC-103909;N-(1,1-dimethyl-2-phenyl-ethyl)acetamide;N-(1,1-Dimethyl-2-phenylethyl)acetamide #;N-(2-methyl-1-phenylpropan-2-yl) acetamide;A830771;A870225

Chemical Property of n-(2-Methyl-1-phenylpropan-2-yl)acetamide

Chemical Property:

• Vapor Pressure: 3.31E-05mmHg at 25°C
• Melting Point: 91.5-92 °C
• Boiling Point: 354.6°Cat760mmHg
• PKA: 16.47±0.46(Predicted)
• Flash Point: 211.9°C
• PSA: 29.10000
• Density: 0.984g/cm³
• LogP: 2.53470
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

N-(1,1-DIMETHYL-2-PHENYLETHYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(C)(C)CC1=CC=CC=C1
• Uses: N-(2-Methyl-1-phenylpropan-2-yl)acetamide is a byproduct from the preparation of benzolactams by palladium-catalyzed carbonylation of arylethylamines and α-amino benzenepropanoates.

Technology Process of n-(2-Methyl-1-phenylpropan-2-yl)acetamide

There total 12 articles about n-(2-Methyl-1-phenylpropan-2-yl)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: 95.0%

N-acetyl-N-(1,1-dimethyl-2-phenylethyl)acetamide → N-(2-methyl-1-phenylpropan-2-yl)acetamide (5531-33-9)

Guidance literature:

With acetic acid; In acetonitrile; at 20 ℃; for 6h;

DOI:10.1021/acs.joc.7b01202

Reference yield: 85.0%

2-Methyl-1-phenyl-2-propanol (100-86-7) + acetonitrile (75-05-8,26809-02-9) → N-(2-methyl-1-phenylpropan-2-yl)acetamide (5531-33-9)

Guidance literature:

With SiO₂ coated on magnetic CoFe₂O₄ nanoparticle immobilized N-propyldiethylenetriamine sulfamic acid; at 80 ℃; for 4h; Green chemistry;

DOI:10.1016/j.apcata.2014.06.006

Reference yield: 81.0%

2,2-dimethyl-3-phenylpropanoic acid (5669-14-7) + acetonitrile (75-05-8,26809-02-9) → N-(2-methyl-1-phenylpropan-2-yl)acetamide (5531-33-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; at 20 ℃; for 16h; Reagent/catalyst; Wavelength; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.7b01202

upstream raw materials:

2-Methyl-1-phenyl-2-propanol

acetonitrile

benzylmagnesium chloride

carbon monoxide

Downstream raw materials:

N-chloro-N-(1,1-dimethyl-2-phenyl-ethyl)-acetamide

phentermine hydrochloride

Phentermin

N,N'-bis(2-methyl-3-phenyl-2-propyl)diazene