N-ethylcyclohexanecarboxamide

Base Information

• Chemical Name: N-ethylcyclohexanecarboxamide
• CAS No.: 138324-59-1
• Molecular Formula: C9H17NO
• Molecular Weight: 155.24
• DSSTox Substance ID: DTXSID40601292
• Nikkaji Number: J419.222B
• Mol file: 138324-59-1.mol

Synonyms:N-ethylcyclohexanecarboxamide;138324-59-1;Cyclohexanecarboxamide, N-ethyl- (9CI);SCHEMBL61528;DTXSID40601292;AKOS004107523

Chemical Property of N-ethylcyclohexanecarboxamide

Chemical Property:

• Melting Point: 94-95 °C
• Boiling Point: 304.6±9.0 °C(Predicted)
• PKA: 16.27±0.20(Predicted)
• PSA: 32.59000
• Density: 0.952±0.06 g/cm3(Predicted)
• LogP: 2.54310
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.131014166
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

CYCLOHEXANECARBOXAMIDE, N-ETHYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C1CCCCC1

Technology Process of N-ethylcyclohexanecarboxamide

There total 3 articles about N-ethylcyclohexanecarboxamide 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:

ethanamine hydrochloride (557-66-4) + cyclohexanylcarbonyl chloride (2719-27-9) → N-ethyl-N-<(3-hydroxyphenyl)methyl>amine (138324-59-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 25 ℃;

DOI:10.1002/bkcs.12438

Reference yield:

ethene (74-85-1) + cyclohexylcarboxamide (1122-56-1) → N-ethyl-N-<(3-hydroxyphenyl)methyl>amine (138324-59-1) + N,N-diethylcyclohexanecarboxamide (5461-52-9)

Guidance literature:

With silver tetrafluoroborate; Br^(1-)*C₂₉H₃₁BrN₅Pt⁽¹⁺⁾; In nitrobenzene-d5; at 20 - 150 ℃; for 26h; under 4125.41 Torr; Inert atmosphere;

DOI:10.1021/om200964u

Reference yield:

→ N-ethyl-N-<(3-hydroxyphenyl)methyl>amine (138324-59-1)

Guidance literature:

Cyclohexan-carbonylchlorid, Ethylamin;

DOI:10.1021/jo01286a089

upstream raw materials:

ethene

cyclohexylcarboxamide

ethanamine hydrochloride

cyclohexanylcarbonyl chloride

Downstream raw materials:

N-(cyclohexylmethyl)-N-ethylamine