Cyclohexanol, 1-(oxiranylmethyl)-

Base Information

• Chemical Name: Cyclohexanol, 1-(oxiranylmethyl)-
• CAS No.: 36399-24-3
• Molecular Formula: C9H16O2
• Molecular Weight: 156.225
• European Community (EC) Number: 828-299-0
• DSSTox Substance ID: DTXSID00461859
• Nikkaji Number: J1.680.442H
• Mol file: 36399-24-3.mol

Synonyms:36399-24-3;1-(oxiran-2-ylmethyl)cyclohexan-1-ol;Cyclohexanol, 1-(oxiranylmethyl)-;1-[(Oxiran-2-yl)methyl]cyclohexan-1-ol;SCHEMBL9894101;DTXSID00461859;EN300-191657;Z1935518286

Chemical Property of Cyclohexanol, 1-(oxiranylmethyl)-

Chemical Property:

• PSA: 32.76000
• LogP: 1.47050
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanol,1-(oxiranylmethyl)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CC2CO2)O

Technology Process of Cyclohexanol, 1-(oxiranylmethyl)-

There total 3 articles about Cyclohexanol, 1-(oxiranylmethyl)- 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: 91.0%

1-allyl-1-cyclohexanol (1123-34-8) → 1-(oxiran-2-ylmethyl)cyclohexan-1-ol (36399-24-3)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at 20 ℃; for 60h;

DOI:10.1002/ejoc.200500424

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-(oxiran-2-ylmethyl)cyclohexan-1-ol (36399-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere

2: 2,2,2-Trifluoroacetophenone; dihydrogen peroxide / tert-butyl alcohol; acetonitrile; water / 18 h / 20 °C / pH 11 / Green chemistry

With 2,2,2-Trifluoroacetophenone; dihydrogen peroxide; zinc; In tetrahydrofuran; water; acetonitrile; tert-butyl alcohol;

DOI:10.1002/ejoc.201601144

Reference yield:

→ 1-(oxiran-2-ylmethyl)cyclohexan-1-ol (36399-24-3)

Guidance literature:

Cyclohexanol 4, 4-Nitro-perbenzoesaeure;

upstream raw materials:

1-allyl-1-cyclohexanol

cyclohexanone

Downstream raw materials:

1-oxaspiro[3,5]nonan-2-yl methanol

(±)-4-cyclohexyl-1,2,4-butanetriol

1-oxaspiro[4.5]decan-3-ol

1-(2-Hydroxy-3-phenylamino-propyl)-cyclohexanol