2-Cyclohexylamino-1-phenylethanol

Base Information

• Chemical Name: 2-Cyclohexylamino-1-phenylethanol
• CAS No.: 6589-48-6
• Molecular Formula: C14H21NO
• Molecular Weight: 219.327
• Hs Code.: 2922199090
• European Community (EC) Number: 229-523-4
• NSC Number: 62916
• DSSTox Substance ID: DTXSID501265137
• Nikkaji Number: J69.026K
• ChEMBL ID: CHEMBL1900843
• Mol file: 6589-48-6.mol

Synonyms:2-Cyclohexylamino-1-phenylethanol;6589-48-6;2-(cyclohexylamino)-1-phenylethanol;Ethanol, 2-cyclohexylamino-1-phenyl-;EINECS 229-523-4;NSC 62916;Benzenemethanol, .alpha.-[(cyclohexylamino)methyl]-;BRN 0979544;Benzenemethanol, alpha-((cyclohexylamino)methyl)-;BENZYL ALCOHOL, alpha-(CYCLOHEXYLAMINO)METHYL-;4-13-00-01815 (Beilstein Handbook Reference);Benzyl alcohol, .alpha.-[(cyclohexylamino)methyl]-;Benzyl alcohol, .alpha.-((cyclohexylamino)methyl)-;2-(cyclohexylamino)-1-phenylethan-1-ol;NSC62916;MFCD00021321;WLN: L6TJ AM1YQR;NCIOpen2_003323;Oprea1_792848;MLS000108423;CHEMBL1900843;SCHEMBL10877574;DTXSID501265137;HMS2176N19;NSC-62916;STK031122;AKOS005381380;NCGC00076552-02;LS-42788;SMR000104380;alpha-(Cyclohexylaminomethyl)benzenemethanol;Benzenemethanol,a-[(cyclohexylamino)methyl]-;CS-0358827;FT-0612124;alpha-[(Cyclohexylamino)methyl]benzenemethanol;A835268

Chemical Property of 2-Cyclohexylamino-1-phenylethanol

Chemical Property:

• Vapor Pressure: 2.7E-05mmHg at 25°C
• Melting Point: 89 °C
• Boiling Point: 343.4 °C at 760 mmHg
• PKA: 13.99±0.20(Predicted)
• Flash Point: 105.7 °C
• PSA: 32.26000
• Density: 1.04 g/cm³
• LogP: 3.03320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 219.162314293
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-Cyclohexylamino-1-phenylethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC(CC1)NCC(C2=CC=CC=C2)O

Technology Process of 2-Cyclohexylamino-1-phenylethanol

There total 10 articles about 2-Cyclohexylamino-1-phenylethanol 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: 95.0%

N-cyclohexyl-5-phenyloxazolidin-2-one (56805-21-1) → 2-cyclohexylamino-1-phenylethanol (6589-48-6)

Guidance literature:

With sodium hydroxide; In diethylene glycol; at 130 - 140 ℃;

Reference yield: 92.0%

styrene oxide (96-09-3) + cyclohexylamine (108-91-8,157973-60-9) → 2-(cyclohexylamino)-2-phenylethan-1-ol (65080-72-0) + 2-cyclohexylamino-1-phenylethanol (6589-48-6)

Guidance literature:

With activated-[Zr₆O₄(OH)₄(BDC-C₅H₄NOS)₆]*4.5H₂O*3.5DMF; In neat (no solvent); at 60 ℃; for 12h; Temperature; regioselective reaction;

DOI:10.1021/acs.inorgchem.9b02608

Reference yield: 90.0%

styrene oxide (96-09-3) + cyclohexylamine (108-91-8,157973-60-9) → 2-cyclohexylamino-1-phenylethanol (6589-48-6)

Guidance literature:

With aminopropyltrimethoxysilane grafted Fe₃O₄ nano immobilized graphene oxide; In water; at 50 ℃; for 0.666667h; regioselective reaction;

DOI:10.1007/s11164-021-04509-4

upstream raw materials:

styrene oxide

cyclohexylamine

2-[(Z)-Cyclohexylimino]-1-phenyl-ethanone

N-cyclohexyl-5-phenyloxazolidin-2-one

Downstream raw materials:

4-cyclohexyl-6-phenyl-morpholin-2-one

2-phenyl-1-cyclohexylcycloethylimine

2-cyclohexylamino-1-phenyl-ethanone

(2E,4E)-Hexa-2,4-dienoic acid cyclohexyl-(2-hydroxy-2-phenyl-ethyl)-amide

Refernces

• 1、 Das, Aniruddha,Anbu, Nagaraj,Reinsch, Helge,Dhakshinamoorthy, Amarajothi,Biswas, Shyam. "A Thiophene-2-carboxamide-Functionalized Zr(IV) Organic Framework as a Prolific and Recyclable Heterogeneous Catalyst for Regioselective Ring Opening of Epoxides". . p. 16581 - 16591. Retrieved 2019/12/04.
• 2、 Mohsenzadeh, Farshid,Aghapoor, Kioumars,Darabi, Hossein Reza,Jalali, Mohammad Reza,Halvagar, Mohammad Reza. "Greener aminolysis of epoxides on BiCl3/SiO2". . p. 978 - 985. Retrieved 2016/08/08.