1-Cyclohexyl-2-hydroxyethanone

Base Information

• Chemical Name: 1-Cyclohexyl-2-hydroxyethanone
• CAS No.: 6004-53-1
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID80448289
• Nikkaji Number: J1.724.366G
• Wikidata: Q82267267
• Mol file: 6004-53-1.mol

Synonyms:1-cyclohexyl-2-hydroxyethanone;6004-53-1;1-cyclohexyl-2-hydroxyethan-1-one;1-cyclohexyl-2-hydroxy-ethanone;Hydroxyacetylcyclohexane;(hydroxyacetyl)cyclohexane;SCHEMBL3955263;DTXSID80448289;AKOS006314287;AS-60059;D93099

Chemical Property of 1-Cyclohexyl-2-hydroxyethanone

Chemical Property:

• PSA: 37.30000
• LogP: 1.12810
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

1-CYCLOHEXYL-2-HYDROXYETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)CO

Technology Process of 1-Cyclohexyl-2-hydroxyethanone

There total 31 articles about 1-Cyclohexyl-2-hydroxyethanone 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: 57.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyclohexanecarbaldehyde (2043-61-0) → 1-cyclohexyl-2-hydroxyethanone (6004-53-1)

Guidance literature:

With 3-(2,4,6-trimethyl-phenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 100 ℃; for 1h; Inert atmosphere; Microwave irradiation; Green chemistry;

DOI:10.1016/j.tet.2016.10.023

Reference yield: 48.0%

2-chloro-1-cyclohexyl-1-ethanone (1892-09-7) → 1-cyclohexyl-2-hydroxyethanone (6004-53-1)

Guidance literature:

With potassium hydroxide; formic acid ethyl ester; In ethanol; for 4h; Heating;

DOI:10.1248/cpb.35.2426

Reference yield: 46.0%

1-cyclohexylprop-2-en-1-ol (4352-44-7) → 1-cyclohexyl-2-hydroxyethanone (6004-53-1)

Guidance literature:

1-cyclohexylprop-2-en-1-ol; With ozone; In dichloromethane; at -78 ℃;

With triphenylphosphine; In dichloromethane;

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at -78 - 20 ℃; for 8h;

DOI:10.1016/j.tetlet.2004.12.135

upstream raw materials:

acetic acid 2-cyclohexyl-2-oxoethyl ester

2-cyclohexyl-1-diazo-2-ethanone

Bromomethyl cyclohexyl ketone

sodium methylate

Downstream raw materials:

cyclohexyl-glyoxal-bis-(2,4-dinitro-phenylhydrazone)

1-cyclohexylethane-1,2-diol

benzoic acid 2-cyclohexyl-2-oxoethyl ester

butyl-(4-cyclohexyl-oxazol-2-yl)-amine