N-(1-methylcyclohexyl)acetamide

Base Information

• Chemical Name: N-(1-methylcyclohexyl)acetamide
• CAS No.: 29138-63-4
• Molecular Formula: C9H17NO
• Molecular Weight: 155.24
• DSSTox Substance ID: DTXSID90586383
• Nikkaji Number: J1.594.797G
• Wikidata: Q82478496
• Mol file: 29138-63-4.mol

Synonyms:N-(1-methylcyclohexyl)acetamide;29138-63-4;Acetamide, N-(1-methylcyclohexyl)-;SCHEMBL5219364;DTXSID90586383;STL066166;AKOS000319656;MCULE-7381251920;NCGC00326320-01;AB01321075-02

Chemical Property of N-(1-methylcyclohexyl)acetamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.131014166
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

N-(1-Methylcyclohexyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1(CCCCC1)C

Technology Process of N-(1-methylcyclohexyl)acetamide

There total 10 articles about N-(1-methylcyclohexyl)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: 70.0%

1-methyl-1-cyclohexanecarboxylic acid (1123-25-7) + acetonitrile (75-05-8,26809-02-9) → N-(1-methylcyclohexyl)acetamide (29138-63-4)

Guidance literature:

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

DOI:10.1021/acs.joc.7b01202

Reference yield: 63.0%

N-hydroxyphthalimide (524-38-9) + methyl cyclohexane (82166-21-0) → N-(1-methylcyclohexyl)acetamide (29138-63-4)

Guidance literature:

With iodic acid; In acetonitrile; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1039/c6cc07164c

Reference yield:

N-acetyl dibenzothiophene sulfilimine (144237-32-1) + [D3]acetonitrile (2206-26-0) + methyl cyclohexane (82166-21-0) → dibenzothiophene (132-65-0) + C4H3(2)H3N2O + N-(1-methylcyclohexyl)acetamide (29138-63-4) + methyl isocyanate (624-83-9)

Guidance literature:

Quantum yield; Product distribution; Photolysis;

DOI:10.1021/jo702654q

upstream raw materials:

1-Methylcyclohexanol

acetonitrile

1-methylcyclohex-1-ene

1-methyl-1-cyclohexanecarboxylic acid

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