N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide

Base Information

• Chemical Name: N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide
• CAS No.: 88352-98-1
• Molecular Formula: C13H17NO3
• Molecular Weight: 235.283
• DSSTox Substance ID: DTXSID70549012
• Wikidata: Q82427876
• Mol file: 88352-98-1.mol

Synonyms:88352-98-1;N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide;N-[2-(Furan-2-yl)-2-oxoethyl]cyclohexanecarboxamide;SCHEMBL10722161;DTXSID70549012;XCLFNSGGTRHDBR-UHFFFAOYSA-N;N-cyclohexylcarbonyl-(2-furylcarbonyl)methylamine

Chemical Property of N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.12084340
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)NCC(=O)C2=CC=CO2

Technology Process of N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide

There total 1 articles about N-(2-(Furan-2-yl)-2-oxoethyl)cyclohexanecarboxamide 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: 92.0%

(furan-2-ylcarbonyl)methylamine hydrochloride (88352-86-7) + cyclohexanylcarbonyl chloride (2719-27-9) → N-cyclohexylcarbonyl-(furan-2-ylcarbonyl)methylamine (88352-98-1)

Guidance literature:

With sodium hydrogencarbonate; In water; ethyl acetate; Ambient temperature;

DOI:10.1021/jm00401a021

Reference yield: 56.2%

ethyl bromoacetate (105-36-2) + N-cyclohexylcarbonyl-(furan-2-ylcarbonyl)methylamine (88352-98-1) → ethyl 3-cyclohexylcarbonylamino-3-(furan-2-ylcarbonyl)propionate (88352-65-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; paraffin; 1.) -50 - -40 deg C, 20 min, 2.) -40 to 10 deg C, 30 min;

DOI:10.1021/jm00401a021

Reference yield:

N-cyclohexylcarbonyl-(furan-2-ylcarbonyl)methylamine (88352-98-1) → 2-[2-cyclohexyl-5-(furan-2-yl)-4-oxazolyl]acetic acid (88352-79-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 56 percent / NaH / paraffin; dimethylformamide / 1.) -50 - -40 deg C, 20 min, 2.) -40 to 10 deg C, 30 min

2: 70 percent / phosphoryl chloride / dimethylformamide / 8 h / Ambient temperature

3: 80 percent / KOH / methanol; H₂O / 8 h / 50 °C

With potassium hydroxide; sodium hydride; trichlorophosphate; In methanol; water; N,N-dimethyl-formamide; paraffin;

DOI:10.1021/jm00401a021

upstream raw materials:

(furan-2-ylcarbonyl)methylamine hydrochloride

cyclohexanylcarbonyl chloride

Downstream raw materials:

ethyl 3-cyclohexylcarbonylamino-3-(furan-2-ylcarbonyl)propionate

2-[2-cyclohexyl-5-(furan-2-yl)-4-oxazolyl]acetic acid

ethyl 2-[2-cyclohexyl-5-(furan-2-yl)-4-oxazolyl]acetate