2-Propanone, 1-(1-hydroxycyclohexyl)-

Base Information

• Chemical Name: 2-Propanone, 1-(1-hydroxycyclohexyl)-
• CAS No.: 25290-13-5
• Molecular Formula: C9H16 O2
• Molecular Weight: 156.2221
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID3067075
• Nikkaji Number: J422.160E
• Wikidata: Q81993654
• Mol file: 25290-13-5.mol

Synonyms:1-Acetonylcyclohexanol;1-(1-hydroxycyclohexyl)propan-2-one;25290-13-5;2-Propanone, 1-(1-hydroxycyclohexyl)-;1-(1-Hydroxycyclohexyl)acetone;DTXSID3067075;SCHEMBL13545394;EN300-1622891

Chemical Property of 2-Propanone, 1-(1-hydroxycyclohexyl)-

Chemical Property:

• Vapor Pressure: 0.00293mmHg at 25°C
• Melting Point: 162-163 °C
• Boiling Point: 252.8°Cat760mmHg
• PKA: 14.57±0.20(Predicted)
• Flash Point: 104.3°C
• PSA: 37.30000
• Density: 1.02g/cm³
• LogP: 1.66070
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1(CCCCC1)O

Technology Process of 2-Propanone, 1-(1-hydroxycyclohexyl)-

There total 6 articles about 2-Propanone, 1-(1-hydroxycyclohexyl)- 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: 84.0%

2-(Trimethylsilyloxy)propene (1833-53-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(1-hydroxycyclohexyl)propan-2-one (25290-13-5)

Guidance literature:

With titanium tetrachloride; In diethyl ether; at -40 ℃; for 1h;

DOI:10.1021/jacs.5b07384

Reference yield: 71.0%

1-allyl-1-cyclohexanol (1123-34-8) → 1-(1-hydroxycyclohexyl)propan-2-one (25290-13-5)

Guidance literature:

With tert.-butylhydroperoxide; silver hexafluoroantimonate; [Pd(quinox)Cl₂]; water; In dichloromethane; at 0 - 20 ℃; for 6.5h;

DOI:10.1021/jo200462a

Reference yield: 52.0%

C15H27BO + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(1-hydroxycyclohexyl)propan-2-one (25290-13-5)

Guidance literature:

C₁₅H₂₇BO; cyclohexanone; In diethyl ether; at 5 ℃; for 16h;

With dihydrogen peroxide; In methanol; at 0 - 20 ℃; pH=7;

DOI:10.1016/j.tetlet.2005.01.011

upstream raw materials:

1-triethylstannanyl-propan-2-one

cyclohexanone

acetone

1-allyl-1-cyclohexanol

Downstream raw materials:

1-(1-Trimethylsilanyloxy-cyclohexyl)-propan-2-one

Refernces

• 1、 McCombs, Jessica R.,Michel, Brian W.,Sigman, Matthew S.. "Catalyst-controlled wacker-type oxidation of homoallylic alcohols in the absence of protecting groups". experimental part. p. 3609 - 3613. Retrieved 2011/06/23.