N-Ethylcyclohexylamine

Base Information

• Chemical Name: N-Ethylcyclohexylamine
• CAS No.: 5459-93-8
• Molecular Formula: C8H17N
• Molecular Weight: 127.23
• Hs Code.: 29213000
• European Community (EC) Number: 226-733-8
• NSC Number: 6272
• UN Number: 1993,2920
• UNII: YJK13P0H3E
• DSSTox Substance ID: DTXSID8063913
• Nikkaji Number: J23.471K
• Wikidata: Q26840752
• Mol file: 5459-93-8.mol

Synonyms:2-(1-cyclohexyl)ethylamine;cyclohexylethylamine;CyHEA

Chemical Property of N-Ethylcyclohexylamine

Chemical Property:

• Appearance/Colour: clear colorless liquid with an ammonia-like odor
• Vapor Pressure: 2 mm Hg ( 20 °C)
• Melting Point: -43oC
• Refractive Index: 1.452
• Boiling Point: 164 °C at 760 mmHg
• PKA: 11.16±0.20(Predicted)
• Flash Point: 42.9 °C
• PSA: 12.03000
• Density: 0.844 g/cm³
• LogP: 2.31950
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 65
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

N-Ethylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-20/21/22-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CCNC1CCCCC1
• Uses: Intermediate in production of herbicides and pharmaceuticals. N-Ethylcyclohexylamine can be used in the synthesis of a series of isatin-N-Mannich bases.

Technology Process of N-Ethylcyclohexylamine

There total 56 articles about N-Ethylcyclohexylamine 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: 97.8%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + ethylamine (75-04-7,85404-22-4) → N-ethyl-cyclohexanamine (5459-93-8)

Guidance literature:

ethylamine; With 5%-palladium/activated carbon; hydrogen; In methanol; water; at 50 ℃; under 18751.9 Torr; Autoclave; Green chemistry;

cyclohexanone; In methanol; water; at 130 ℃; for 1h; under 18751.9 Torr; Temperature; Solvent; Reagent/catalyst; Catalytic behavior; Green chemistry;

Reference yield: 92.0%

ethanol (64-17-5) + cyclohexylamine (108-91-8,157973-60-9) → N-ethyl-cyclohexanamine (5459-93-8)

Guidance literature:

With OsH₄[HN(C₂H₄Pi-Pr₂)2]; at 200 ℃; for 30h; Inert atmosphere; Closed bomb;

DOI:10.1039/c1dt10342c

Reference yield: 90.0%

Acetanilid (103-84-4) → N-ethyl-cyclohexanamine (5459-93-8)

Guidance literature:

With hydrogen; hexarhodium hexadecacarbonyl; decacarbonyldirhenium⁽⁰⁾; In 1,2-dimethoxyethane; at 170 ℃; for 16h; under 76000 Torr;

DOI:10.1016/S0040-4039(96)01458-X

upstream raw materials:

9H-fluorene

cyclohexyl-alanine

N-cyclohexylacetamide

N-formylethylamine

Downstream raw materials:

diethyl-cyclohexyl-amine

2-(ethyl-cyclohexyl-amino)-ethanol

5-chloro-N³-cyclohexyl-N³-ethyl-N¹,N¹-diisopropyl-1λ⁴-[1,2,4,6]thiatriazine-1,3-diamine

2-[(Cyclohexyl-ethyl-amino)-methyl]-6-trifluoromethyl-phenylamine

Refernces

• 1、 Zhang, Sishi,Xu, Jie,Cheng, Hongmei,Zang, Cuicui,Sun, Bin,Jiang, Heyan,Bian, Fengxia. "Highly efficient one-pot multi-directional selective hydrogenation and N-alkylation catalyzed by Ru/LDH under mild conditions". supporting information. . Retrieved 2020/03/30.
• 2、 Bravo, María V.,Fernández, José L.,Adam, Claudia G.,Della Rosa, Claudia D.. "Understanding the Role of Protic Ionic Liquids (PILs) in Reactive Systems: Rational Selection of PILs for the Design of Green Synthesis Strategies for Allylic Amines and β-Amino Esters". . p. 919 - 926. Retrieved 2019/07/31.