N-(4-tert-butylcyclohexyl)acetamide

Base Information

• Chemical Name: N-(4-tert-butylcyclohexyl)acetamide
• CAS No.: 31865-33-5
• Molecular Formula: C₁₂H₂₃NO
• Molecular Weight: 197.321
• NSC Number: 176112
• DSSTox Substance ID: DTXSID30953777
• Mol file: 31865-33-5.mol

Synonyms:31865-33-5;NSC176112;SCHEMBL1176981;SCHEMBL14263472;DTXSID30953777;NSC-176112;N-(4-tert-Butylcyclohexyl)ethanimidic acid

Chemical Property of N-(4-tert-butylcyclohexyl)acetamide

Chemical Property:

• Vapor Pressure: 0.000231mmHg at 25°C
• Boiling Point: 325.4°Cat760mmHg
• Flash Point: 194.8°C
• Density: 0.91g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.177964357
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCC(CC1)C(C)(C)C

Technology Process of N-(4-tert-butylcyclohexyl)acetamide

There total 15 articles about N-(4-tert-butylcyclohexyl)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: 84.0%

C12H23NO (31865-33-5) → trans-4-tert-Butyl(acetylamido)cyclohexane (31023-36-6,31865-33-5) + 4-tercbutyl-cyclohexanone (98-53-3)

Guidance literature:

With C₄₂H₇₂F₆MnN₄O₆S₂Si₂; dihydrogen peroxide; cyclopropanecarboxylic acid; In acetonitrile; at -40 ℃; for 0.5h; diastereoselective reaction;

DOI:10.1021/acs.orglett.8b00929

Reference yield:

trans-4-t-butylcyclohexylamine (2163-34-0) + acetyl chloride (75-36-5) → trans-4-tert-Butyl(acetylamido)cyclohexane (31023-36-6,31865-33-5)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00929

Reference yield:

4-tert-butylcyclohexanone oxime (4701-98-8) → trans-4-tert-Butyl(acetylamido)cyclohexane (31023-36-6,31865-33-5)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / Inert atmosphere; Reflux

2: triethylamine / dichloromethane / 0 - 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/acs.orglett.8b00929

upstream raw materials:

4-tert-butylcyclohexylamine

acetic anhydride

trans-4-tert-Butyl(diacetylamido)cyclohexane

N-(4-(tert-butyl)cyclohex-1-en-1-yl)acetamide