4-(Methylamino)cyclohexanol

Base Information

• Chemical Name: 4-(Methylamino)cyclohexanol
• CAS No.: 22348-38-5
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• European Community (EC) Number: 919-883-7,865-886-0,890-086-3
• DSSTox Substance ID: DTXSID20944997,DTXSID401300499
• Mol file: 22348-38-5.mol

Synonyms:4-(methylamino)cyclohexanol;trans-4-(Methylamino)cyclohexanol;22348-44-3;22348-38-5;cis-4-Methylamino-cyclohexanol;2987-05-5;cis-4-(Methylamino)cyclohexanol;trans-4-Methylamino-cyclohexanol;4-(methylamino)cyclohexan-1-ol;MFCD09909445;MFCD09954372;Cyclohexanol, 4-(methylamino)-;Cyclohexanol, 4-(methylamino)-, trans-;4-methylaminocyclohexanol;(1R,4R)-4-(METHYLAMINO)CYCLOHEXANOL;(1R,4R)-4-(METHYLAMINO)CYCLOHEXAN-1-OL;cis-4-methylaminocyclohexanol;SCHEMBL561590;SCHEMBL561591;trans-4-methylaminocyclohexanol;SCHEMBL1205023;SCHEMBL6822248;SCHEMBL13888595;DTXSID20944997;OMJKFWFDNIIACS-KNVOCYPGSA-N;OMJKFWFDNIIACS-LJGSYFOKSA-N;OMJKFWFDNIIACS-UHFFFAOYSA-N;DTXSID401300499;AMY18670;AMY34073;AMY34313;CAA98705;XAA34844;AB3908;AB3909;MFCD17012010;AKOS006242769;AKOS006310688;AKOS006348540;Biphenyl-3,3,4,4-tetracarboxylicacid;CS-W004636;CS-W019271;DS-7263;PB13112;PB22804;cis-1-hydroxy-4-methylamino-cyclohexane;AS-34725;DS-16553;SY010993;SY056651;(trans)-(4-hydroxy-cyclohexyl)-methyl-amine;CS-0049672;FT-0687389;FT-0752249;FT-0765710;(1S,4S)-4-(METHYLAMINO)CYCLOHEXANOL;A25734;EN300-154184;EN300-154324;EN300-2982745;(1S,4S)-4-(METHYLAMINO)CYCLOHEXAN-1-OL;A854923;A878590;Z138503904

Chemical Property of 4-(Methylamino)cyclohexanol

Chemical Property:

• Vapor Pressure: 0.0404mmHg at 25°C
• Boiling Point: 211.7°C at 760 mmHg
• Flash Point: 86.8°C
• PSA: 32.26000
• Density: 0.97g/cm³
• LogP: 0.90020
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

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

cis-4-(Methylamino)cyclohexanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1CCC(CC1)O

Technology Process of 4-(Methylamino)cyclohexanol

There total 3 articles about 4-(Methylamino)cyclohexanol 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: 76.0%

cis-(4-hydroxycyclohexyl)carbamic acid tert-butyl ester (167081-25-6) → cis-4-Methylamino-cyclohexanol-(1) (22348-38-5)

Guidance literature:

cis-(4-hydroxycyclohexyl)carbamic acid tert-butyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 16.5h; Heating / reflux;

With sodium hydroxide; water; In tetrahydrofuran;

With hydrogenchloride; In water;

Reference yield:

N-methyl-N-(cis-4-hydroxy-cyclohexyl)-acetamide → cis-4-Methylamino-cyclohexanol-(1) (22348-38-5)

Guidance literature:

With hydrogenchloride;

Reference yield:

N-methyl-(4-acetamido)phenol (579-58-8) → cis-4-Methylamino-cyclohexanol-(1) (22348-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; nickel / 180 °C / Hydrogenation

2: sulfuric acid

With ethanol; sulfuric acid; nickel;

upstream raw materials:

cis-(4-hydroxycyclohexyl)carbamic acid tert-butyl ester

N-methyl-(4-acetamido)phenol

Downstream raw materials:

tert-butyl methyl(4-oxocyclohexyl)carbamate

cis-1-(methanesulphonyloxy)-4-(N-methanesulphonyl-N-methyl-amino)-cyclohexane

cis-1-(4-hydroxy-cyclohexyl)-3-[4-methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl]-1-methyl-urea

Refernces