Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl-

Base Information

• Chemical Name: Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl-
• CAS No.: 100617-33-2
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• DSSTox Substance ID: DTXSID60471333
• Nikkaji Number: J918.467H
• Wikidata: Q82299826
• Mol file: 100617-33-2.mol

Synonyms:Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl-;100617-33-2;SCHEMBL25909570;DTXSID60471333;AKOS027569961

Chemical Property of Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=CC=CC=C1C(C)(C)C

Technology Process of Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl-

There total 1 articles about Acetamide, N-[2-(1,1-dimethylethyl)phenyl]-N-methyl- 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:

2-(1,1-dimethylethyl)-benzenamine (6310-21-0) → rac-N-(2-tert-butylphenyl)-N-methyl acetamide (100617-33-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 99 percent / triethylamine / CH₂Cl₂ / 5 h / 20 °C

2.1: sodium hydride / tetrahydrofuran / 1 h / 0 °C

2.2: 93 percent / tetrahydrofuran / 2 h / 20 °C

With sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/ja010467p

Reference yield: 82.0%

rac-N-(2-tert-butylphenyl)-N-methyl acetamide (100617-33-2) + methyl trifluoromethanesulfonate (333-27-7) → [1[(2-iodo-4,6-dimethylphenyl)methylamino]ethylidene]methyloxonium trifluoromethanesulfonate

Guidance literature:

In dichloromethane; at 20 ℃; for 14h;

DOI:10.1021/ja010467p

Reference yield: 82.0%

rac-N-(2-tert-butylphenyl)-N-methyl acetamide (100617-33-2) → N-(2-tert-butylphenyl)-N-methylacetylthioamide (438192-71-3)

Guidance literature:

With Lawessons reagent; In toluene; for 5h; Heating;

DOI:10.1002/1521-3765(20020201)8:3<632::AID-CHEM632>3.0.CO;2-X

upstream raw materials:

2-(1,1-dimethylethyl)-benzenamine

Downstream raw materials:

N-(2-tert-butylphenyl)-N-methylacetylthioamide

2-[(2-tert-butylphenyl)(methyl)amino]-2-methyl-[1,3]dioxolane-4,5-dicarboxylic acid dimethyl ester

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