1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene

Base Information

• Chemical Name: 1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene
• CAS No.: 28530-36-1
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• DSSTox Substance ID: DTXSID60539942
• Wikidata: Q82415766
• Mol file: 28530-36-1.mol

Synonyms:28530-36-1;1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene;SCHEMBL143873;DTXSID60539942;AKOS008952571

Chemical Property of 1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene

Chemical Property:

• Boiling Point: 135-140 °C(Press: 40 Torr)
• PSA: 9.23000
• Density: 0.905±0.06 g/cm3(Predicted)
• LogP: 3.59720
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)OC(C)C

Technology Process of 1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene

There total 5 articles about 1-(Propan-2-yl)-4-[(propan-2-yl)oxy]benzene 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: 82.0%

5-(2-(4-isopropoxyphenyl)propan-2-yl)-2,2-dimethyl-1,3-dioxane-4,6-dione → cycl-isopropylidene malonate (2033-24-1) + 1-isopropoxy-4-isopropylbenzene (28530-36-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1002/adsc.201600535

Reference yield: 77.0%

4-Isopropylphenol (99-89-8) + isopropyl bromide (75-26-3) → 1-isopropoxy-4-isopropylbenzene (28530-36-1)

Guidance literature:

With sodium; In ethanol; for 6h; Heating;

DOI:10.1016/0022-328X(85)87372-1

Reference yield:

(4-isopropoxyphenyl)magnesium bromide → 1-isopropoxy-4-isopropylbenzene (28530-36-1)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 24 h / 0 - 20 °C / Inert atmosphere

2: hydrogen; palladium 10% on activated carbon / methanol / 24 h / 20 °C / 760.05 Torr

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol;

DOI:10.1002/adsc.201600535

upstream raw materials:

4-Isopropylphenol

isopropyl bromide

1-bromo-4-isopropoxybenzene

Downstream raw materials:

4-Fluoro-4-isopropylcyclohexa-2,5-dienone

1-fluoro-4-isopropoxybenzene