N-(4-Oxo-cyclohexylmethyl)-acetamide

Base Information

• Chemical Name: N-(4-Oxo-cyclohexylmethyl)-acetamide
• CAS No.: 30482-18-9
• Molecular Formula: C₉H₁₅NO₂
• Molecular Weight: 169.224
• European Community (EC) Number: 871-350-7
• Mol file: 30482-18-9.mol

Synonyms:N-[(4-oxocyclohexyl)methyl]acetamide;30482-18-9;N-(4-OXO-CYCLOHEXYLMETHYL)-ACETAMIDE;SCHEMBL4419633;AKOS006308328;CS-0245150;EN300-300188;J-017976

Chemical Property of N-(4-Oxo-cyclohexylmethyl)-acetamide

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1CCC(=O)CC1

Technology Process of N-(4-Oxo-cyclohexylmethyl)-acetamide

There total 3 articles about N-(4-Oxo-cyclohexylmethyl)-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: 77.0%

N-(1,4-dioxaspiro[4.5]dec-8-ylmethyl)acetamide (299180-11-3) → N-[(4-oxo-cyclohexyl)methyl]acetamide (30482-18-9)

Guidance literature:

With formic acid; at 20 ℃; for 16h;

DOI:10.1016/S0040-4020(01)01243-1

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → N-[(4-oxo-cyclohexyl)methyl]acetamide (30482-18-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 72 percent / potassium tert-butoxide / 1,2-dimethoxy-ethane; ethanol / 3 h / 0 - 20 °C

2: 77 percent / lithium aluminum hydride / tetrahydrofuran / Heating

3: 80 percent / 1 h / 20 °C

4: 77 percent / 90 percent formic acid / 16 h / 20 °C

With lithium aluminium tetrahydride; formic acid; potassium tert-butylate; In tetrahydrofuran; 1,2-dimethoxyethane; ethanol;

DOI:10.1016/S0040-4020(01)01243-1

Reference yield:

1,4-dioxaspiro<4.5>decane-8-carbonitrile (69947-09-7) → N-[(4-oxo-cyclohexyl)methyl]acetamide (30482-18-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / lithium aluminum hydride / tetrahydrofuran / Heating

2: 80 percent / 1 h / 20 °C

3: 77 percent / 90 percent formic acid / 16 h / 20 °C

With lithium aluminium tetrahydride; formic acid; In tetrahydrofuran;

DOI:10.1016/S0040-4020(01)01243-1

upstream raw materials:

N-(1,4-dioxaspiro[4.5]dec-8-ylmethyl)acetamide

cyclohexanedione monoethylene ketal

1,4-dioxaspiro<4.5>decane-8-carbonitrile

Downstream raw materials:

4,5,6,7-tetrahydro-2H-indazol-5-ylmethanamine

(+/-)-4,5,6,7-tetrahydro-2H-izoindol-5-ylmethanamine

tert-butyl (1R)-2-[(2S)-2-({[(2-amino-5,6,7,8-tetrahydro-6-quinazolinyl)methyl]amino}carbonyl)pyrrolidinyl]1-(3,4-dichlorobenzyl)-2-oxoethylcarbamate

tert-butyl (1R)-2-[(2S)-2-({[(2-amino-5,6,7,8-tetrahydro-6-quinazolinyl)methyl]amino}carbonyl)pyrrolidinyl]-1-benzhydryl-2-oxoethylcarbamate