N,N-Dimethylcyclohexylamine

Base Information

• Chemical Name: N,N-Dimethylcyclohexylamine
• CAS No.: 98-94-2
• Deprecated CAS: 130254-81-8,75496-03-6,1304117-32-5,1639015-74-9,205657-42-7,389120-80-3,75496-03-6
• Molecular Formula: C8H17N
• Molecular Weight: 127.23
• Hs Code.: Oral rat LD50: 348 mg/kg
• European Community (EC) Number: 202-715-5
• ICSC Number: 1444
• NSC Number: 163904
• UN Number: 2264
• UNII: N1H19E7HTA
• DSSTox Substance ID: DTXSID9026633
• Nikkaji Number: J4.960C
• Wikidata: Q25945666
• Metabolomics Workbench ID: 60352
• ChEMBL ID: CHEMBL3186662
• Mol file: 98-94-2.mol

Synonyms:N,N-dimethylcyclohexylamine;N,N-dimethylcyclohexylamine hydrochloride;N,N-dimethylcyclohexylamine sulfite (1:1)

Chemical Property of N,N-Dimethylcyclohexylamine

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 3.6 mm Hg ( 20 °C)
• Melting Point: -60 °C
• Refractive Index: FLASH POINT
• Boiling Point: 162 °C at 760 mmHg
• PKA: pK1:10.72(+1) (25°C)
• Flash Point: 42.2 °C
• PSA: 3.24000
• Density: 0.849 g/mL at 25 °C(lit.)
• LogP: 1.88070
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• Solubility.: 10 g/L (20°C)
• Water Solubility.: 10 g/L (20 ºC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.136099547
• Heavy Atom Count: 9
• Complexity: 72.6
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

N,N-Dimethylcyclohexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N,T
• Hazard Codes: C,N,T
• Statements: 10-20/21/22-34-50/53-23/24-22
• Safety Statements: 26-28-36/37/39-45-61-28A-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: CN(C)C1CCCCC1
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the skin, eyes and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Uses: Dimethylcyclohexylamine is used in polyurethane plastics and textiles and as a chemical intermediate. N,N-Dimethylcyclohexylamine has been used:as switchable hydrophilicity solvent (SHS) for the extraction of lipids from freeze-dried samples of Botryococcus braunii microalgae for biofuel productionas catalyst in three-component organocatalyzed Strecker reaction on water

Technology Process of N,N-Dimethylcyclohexylamine

There total 66 articles about N,N-Dimethylcyclohexylamine 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: 100.0%

carbon dioxide (124-38-9,18923-20-1) + cyclohexylamine (108-91-8,157973-60-9) → N,N-dimethyl-cyclohexanamine (98-94-2)

Guidance literature:

With hydrogen; In hexane; at 170 ℃; for 7h; under 15001.5 - 60006 Torr; Inert atmosphere; Autoclave;

Reference yield: 100.0%

methanol (67-56-1) + cyclohexylamine (108-91-8,157973-60-9) → N,N-dimethyl-cyclohexanamine (98-94-2)

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); at 100 ℃;

Reference yield: 100.0%

methanol (67-56-1) + N-methylcyclohexylamine (100-60-7) → N,N-dimethyl-cyclohexanamine (98-94-2)

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); at 100 ℃;

upstream raw materials:

diazomethane

cyclohexylamine

3-dimethylamino-phenol; hydrochloride

[cyclo-C₆H₁₁NMe₃][OH]

Downstream raw materials:

4-formylphenyl N,N-dimethylsulfamate

cyclohexyltrimethylammonium iodide

bromomethyl-cyclohexyl-dimethyl-ammonium; bromide

N-cyclohexyl-N-methylacetamide

Refernces

• 1、 Akhtar, Naved,Begum, Wahida,Chauhan, Manav,Manna, Kuntal,Newar, Rajashree,Rawat, Manhar Singh. "Chemoselective and Tandem Reduction of Arenes Using a Metal–Organic Framework-Supported Single-Site Cobalt Catalyst". supporting information. . Retrieved 2022/01/19.
• 2、 Marshall, James R.,Yao, Peiyuan,Montgomery, Sarah L.,Finnigan, James D.,Thorpe, Thomas W.,Palmer, Ryan B.,Mangas-Sanchez, Juan,Duncan, Richard A. M.,Heath, Rachel S.,Graham, Kirsty M.,Cook, Darren J.,Charnock, Simon J.,Turner, Nicholas J.. "Screening and characterization of a diverse panel of metagenomic imine reductases for biocatalytic reductive amination". . p. 140 - 148. Retrieved 2021/01/04.