1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one
• CAS No.: 67580-45-4
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• DSSTox Substance ID: DTXSID20575169
• Mol file: 67580-45-4.mol

Synonyms:67580-45-4;1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one;1-(4-isopropylcyclohexyl)ethanone;1-(4-propan-2-ylcyclohexyl)ethanone;Ethanone, 1-[4-(1-methylethyl)cyclohexyl]-;SCHEMBL1227336;SCHEMBL8072275;1-acetyl-4-isopropylcyclohexane;SCHEMBL11080452;SCHEMBL13979788;DTXSID20575169;PNEQETHAGGNHIA-UHFFFAOYSA-N;PNEQETHAGGNHIA-XYPYZODXSA-N;trans-1-acetyl-4-isopropylcyclohexane;AKOS014759874;EN300-1719864;Z1259298752

Chemical Property of 1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC(CC1)C(=O)C

Technology Process of 1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one

There total 7 articles about 1-[4-(Propan-2-yl)cyclohexyl]ethan-1-one 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: 32.0%

4-isopropylacetophenone (645-13-6) → 1-(4-isopropylphenyl)ethanol (1475-10-1) + trans-1-(4-isopropylcyclohexyl)-1-ethanol (63767-86-2,185019-18-5) + 4-isopropylcyclohexyl methyl ketone (67580-45-4)

Guidance literature:

With 1,5-hexadienerhodium(I)-chloride dimer; hydrogen; tetra(n-butyl)ammonium hydrogensulfate; In tetrahydrofuran; hexane; at 20 ℃; for 12h; under 60804.1 Torr; aq. phosphate buffer; Autoclave;

DOI:10.1016/j.tetasy.2009.01.016

Reference yield:

4-isopropylacetophenone (645-13-6) → trans-1-(4-isopropylcyclohexyl)-1-ethanol (63767-86-2,185019-18-5) + 4-isopropylcyclohexyl methyl ketone (67580-45-4)

Guidance literature:

With hydrogen; rhodium; platinum; In acetic acid; for 4h; under 36775.4 Torr; Yield given;

DOI:10.1248/cpb.35.3276

Reference yield:

4-isopropylacetophenone (645-13-6) → 4-isopropylcyclohexyl methyl ketone (67580-45-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / rhodium-platinium / acetic acid / 4 h / 36775.4 Torr

2: CrO₃, conc. H₂SO₄ / H₂O; acetone / 5 h / Ambient temperature

With chromium(VI) oxide; sulfuric acid; hydrogen; rhodium; platinum; In water; acetic acid; acetone;

DOI:10.1248/cpb.35.3276

upstream raw materials:

4-isopropylacetophenone

trans-1-(4-isopropylcyclohexyl)-1-ethanol

4-isopropylcyclohexane-1-carbaldehyde

4-(1-methylethyl)cyclohexyl-methanol

Downstream raw materials:

Benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester

trans-1-(bromoacetyl)-4-isopropylcyclohexane

trans-1-(hydroxyacetyl)-4-isopropylcyclohexane

trans-1-acetyl-4-isopropylcyclohexane