2-(Cyclohexen-1-yl)propan-2-ol

Base Information

• Chemical Name: 2-(Cyclohexen-1-yl)propan-2-ol
• CAS No.: 25910-97-8
• Molecular Formula: C9H16 O
• Molecular Weight: 140.2227
• NSC Number: 130048
• DSSTox Substance ID: DTXSID30299400
• Nikkaji Number: J1.738.451A
• Wikidata: Q82041791
• Mol file: 25910-97-8.mol

Synonyms:25910-97-8;2-(cyclohexen-1-yl)propan-2-ol;NSC130048;SCHEMBL3145832;DTXSID30299400;NSC-130048

Chemical Property of 2-(Cyclohexen-1-yl)propan-2-ol

Chemical Property:

• Vapor Pressure: 0.0398mmHg at 25°C
• Boiling Point: 212°Cat760mmHg
• Flash Point: 85.7°C
• Density: 0.967g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CCCCC1)O

Technology Process of 2-(Cyclohexen-1-yl)propan-2-ol

There total 10 articles about 2-(Cyclohexen-1-yl)propan-2-ol 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: 79.0%

dimethylmagnesium (2999-74-8) + 1-cyclohexenyl methyl ketone (932-66-1) → 1-(1-hydroxy-1-methylethyl)cyclohexene (25910-97-8)

Guidance literature:

dimethylmagnesium; With iron(II) chloride; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

1-cyclohexenyl methyl ketone; In tetrahydrofuran; at 0 ℃; Further stages.;

DOI:10.1246/cl.2008.800

Reference yield: 77.0%

trans-2-(1-hydroxy-1-methylethyl)cyclohexyl p-toluenesulfonate (89964-56-7) → 1-(1-hydroxy-1-methylethyl)cyclohexene (25910-97-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 16h; Heating;

Reference yield: 73.0%

methylmagnesium bromide (75-16-1) + 1-cyclohexenyl methyl ketone (932-66-1) → 1-(1-hydroxy-1-methylethyl)cyclohexene (25910-97-8)

Guidance literature:

In tetrahydrofuran; diethyl ether; Ambient temperature;

DOI:10.1021/jo00074a019

upstream raw materials:

methyl magnesium iodide

cyclohex-1-enecarboxylic acid ethyl ester

diethyl ether

methylmagnesium bromide

Downstream raw materials:

1-(1-methylethenyl)cyclohexene

(2-Isopropylidencyclohexyl)-aceton

1-(2-Isopropylidene-cyclohexyl)-propan-2-ol

(2-Isopropylidene-cyclohexyl)-acetaldehyde