Allyl o-i-propylphenyl ether

Base Information

• Chemical Name: Allyl o-i-propylphenyl ether
• CAS No.: 942-58-5
• Molecular Formula: C₁₂H₁₆O
• Molecular Weight: 176.258
• DSSTox Substance ID: DTXSID201252664
• Nikkaji Number: J1.632.145A
• Mol file: 942-58-5.mol

Synonyms:allyl o-i-propylphenyl ether;942-58-5;AllylO-CumenylEther;1-propan-2-yl-2-prop-2-enoxybenzene;1-(allyloxy)-2-isopropylbenzene;2-Isopropylphenylallyl ether;1-(1-methylethyl)-2-(2-propen-1-yloxy)benzene;allyl o-isopropylphenyl ether;(-)-i-Propyl allyloxybenzene;SCHEMBL11974252;DTXSID201252664;allyl [2-(2-propyl)phenyl] ether;AKOS008949922;[2-(2-propyl)phenyl] (2-propenyl) ether;benzene, 1-(1-methylethyl)-2-(2-propenyloxy)-

Chemical Property of Allyl o-i-propylphenyl ether

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1OCC=C

Technology Process of Allyl o-i-propylphenyl ether

There total 4 articles about Allyl o-i-propylphenyl ether 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: 66.0%

2-(1-methylethyl)phenol (88-69-7) → 1-(1-methylethyl)-2-(2-propen-1-yloxy)benzene (942-58-5)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1039/b101837j

Reference yield:

2-(1-methylethyl)phenol (88-69-7) + 3-chloroprop-1-ene (107-05-1) → 1-(1-methylethyl)-2-(2-propen-1-yloxy)benzene (942-58-5)

Guidance literature:

With potassium phosphate; tetrabutylammomium bromide; In N,N-dimethyl acetamide; at 100 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201300757

Reference yield:

1-Isopropyl-2-[((Z)-propenyl)oxy]-benzene → 1-(1-methylethyl)-2-(2-propen-1-yloxy)benzene (942-58-5)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 100.05 ℃; Further Variations:; Temperatures; Equilibrium constant;

DOI:10.1039/b101837j

upstream raw materials:

2-(1-methylethyl)phenol

3-chloroprop-1-ene

Downstream raw materials:

(E)-cinnamyl 2-isopropylphenyl ether

(E)-2-[3-(2-isopropylphenoxy)-1-propen-1-yl]thiophene

(E)-1-[3-(2-isopropylphenoxy)-2-propen-1-yl]naphthalene

2-allyl-6-isopropylphenol

Refernces

• 1、 Taskinen, Esko. "Thermodynamic, spectroscopic, and density functional theory studies of allyl aryl and prop-1-enyl aryl ethers. Part 1. Thermodynamic data of isomerization". . p. 1824 - 1834. Retrieved 2007/10/03.