Phenol, 4-(1-methylethenyl)-, acetate

Base Information

• Chemical Name: Phenol, 4-(1-methylethenyl)-, acetate
• CAS No.: 2759-56-0
• Molecular Formula: C11H12 O2
• Molecular Weight: 176.215
• Mol file: 2759-56-0.mol

Synonyms:Phenol, 4-(1-methylethenyl)-, acetate;2759-56-0;p-isopropenylphenyl acetate;p-isopropenylphenol acetate;p-acetoxy-alpha-methyl styrene;SCHEMBL1088052;OAQWJXQXSCVMSC-UHFFFAOYSA-N;(4-prop-1-en-2-ylphenyl) acetate;4-(prop-1-en-2-yl)phenyl acetate

Chemical Property of Phenol, 4-(1-methylethenyl)-, acetate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 257.172°C at 760 mmHg
• Flash Point: 97.182°C
• Density: 1.019g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 200

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(=O)C

Technology Process of Phenol, 4-(1-methylethenyl)-, acetate

There total 6 articles about Phenol, 4-(1-methylethenyl)-, acetate 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: 86.0%

Isopropenyl acetate (108-22-5) + 4-chlorophenyl acetate (876-27-7) → p-isopropenyl-phenol acetate (2759-56-0)

Guidance literature:

With manganese; trifluoroacetic acid; [2,2]bipyridinyl; cobalt(II) bromide; In pyridine; DMF (N,N-dimethyl-formamide); at 50 ℃; for 3.5h;

Reference yield: 74.0%

Isopropenyl acetate (108-22-5) + 4-bromophenyl acetate (1927-95-3) → p-isopropenyl-phenol acetate (2759-56-0)

Guidance literature:

With [2,2]bipyridinyl; manganese; trifluoroacetic acid; cobalt(II) bromide; In pyridine; N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1002/ejoc.200400897

Reference yield:

4-acetyloxyacetophenone (13031-43-1) + Methyltriphenylphosphonium bromide (1779-49-3) → p-isopropenyl-phenol acetate (2759-56-0)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

4-acetyloxyacetophenone; In tetrahydrofuran; at 0 - 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00923

upstream raw materials:

2-(4-hydroxyphenyl)-2-propanol

acetic anhydride

Isopropenyl acetate

4-bromophenyl acetate

Downstream raw materials:

2,2,2-trifluoroethanol

2,2,2-Trifluoroacetaldehyde

4-acetyloxyacetophenone

Refernces

• 1、 -. "Method for oxidative cracking of compound containing unsaturated double bonds". Paragraph 0038-0046. . Retrieved 2021/07/09.
• 2、 Chen, Xiang,Chen, Yi-Hung,Liu, Shanshan,Shen, Xiao,Zhu, Zhihong. "MnBr2 catalyzed regiospecific oxidative Mizoroki-Heck type reaction". supporting information. . Retrieved 2021/11/27.