1,4-Cyclohexanebis(methylamine)

Base Information

• Chemical Name: 1,4-Cyclohexanebis(methylamine)
• CAS No.: 2549-93-1
• Molecular Formula: C8H18 N2
• Molecular Weight: 142.244
• Hs Code.: 29213099
• European Community (EC) Number: 219-840-6,805-776-1,805-777-7
• NSC Number: 71997,71995
• DSSTox Substance ID: DTXSID4062511,DTXSID101298049,DTXSID501302155
• Nikkaji Number: J48.535G,J543.232D,J543.233B
• Mol file: 2549-93-1.mol

Synonyms:1,4-Cyclohexanebis(methylamine)(6CI,7CI,8CI); 1,4-Bis(aminomethyl)cyclohexane; 1,4-Cyclohexanedimethylamine;1,4-Cyclohexylenebis(methylamine); 1,4-Di(aminomethyl)cyclohexane;Hexahydro-p-xylylenediamine; [[4-(Aminomethyl)cyclohexyl]methyl]amine;p-Bis(aminomethyl)cyclohexane

Chemical Property of 1,4-Cyclohexanebis(methylamine)

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 0.0698mmHg at 25°C
• Melting Point: -9 °C
• Refractive Index: 1.491-1.495
• Boiling Point: 240-245 ºC
• PKA: 10.57±0.29(Predicted)
• Flash Point: 107 ºC
• PSA: 52.04000
• Density: 0.94
• LogP: 2.11080
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.146998583
• Heavy Atom Count: 10
• Complexity: 73.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-1,4-Bis(aminomethyl)cyclohexane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-21/22
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CC(CCC1CN)CN

Technology Process of 1,4-Cyclohexanebis(methylamine)

There total 12 articles about 1,4-Cyclohexanebis(methylamine) 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: 97.0%

cyclohexane-1,4-dicarbonitrile (10534-13-1) → 1,4-bis-(aminomethyl)cyclohexane (2549-93-1)

Guidance literature:

With ammonium hydroxide; hydrogen; In methanol; at 80 ℃; for 4h; under 33753.4 Torr;

Reference yield: 27.0%

1,4-cyclohexanedicarboxaldehyde (33424-83-8) + cis/trans-1,3-cyclohexanedicarboxaldehyde (55309-54-1) → 3-azabicyclo<3.3.1>nonane (280-70-6) + 1,4-bis-(aminomethyl)cyclohexane (2549-93-1) + cis, trans-1,3-dimethylaminocyclohexane (2579-20-6)

Guidance literature:

1,4-cyclohexanedicarboxaldehyde; cis/trans-1,3-cyclohexanedicarboxaldehyde; With ammonia; In methanol; at 100 ℃; for 0.666667 - 0.75h;

With hydrogen; Ni catalyst supported on silica/alumina; In methanol; at 100 ℃; for 5h; under 41372.9 Torr; Product distribution / selectivity;

Reference yield:

bis-1,4-(hydroxymethyl)cyclohexane (105-08-8) → 4-(aminomethyl)-cyclohexanemethanol (1074-62-0) + 1,4-bis-(aminomethyl)cyclohexane (2549-93-1)

Guidance literature:

With ammonia; chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II); In tetrahydrofuran; at 155 ℃; for 12h; under 34128.4 Torr; Autoclave; Inert atmosphere;

upstream raw materials:

terephthalonitrile

1,4-cyclohexanedicarboxaldehyde

cis/trans-1,3-cyclohexanedicarboxaldehyde

cyclohexylmethyl alcohol

Downstream raw materials:

1,4-bis(benzylideneaminomethyl)cyclohexane

C₂₂H₂₄F₂N₂

1-(N,N'-diBoc)-guanidinomethyl-4-aminomethylcyclohexane

N₁-[4-(aminomethyl)cyclohexyl]methyl-N,N-dimethylsulfamide

Refernces

• 1、 -. "METHOD FOR PRODUCING DICYANOCYCLOHEXANE AND BIS(AMINOMETHYL)CYCLOHEXANE". Paragraph 0087; 0091-0092. . Retrieved 2020/12/25.
• 2、 -. "Corresponding amine nitrile and method of manufacturing thereof". . . Retrieved 2017/10/22.