4-(1-Hydroxyethyl)phenyl acetate

Base Information

• Chemical Name: 4-(1-Hydroxyethyl)phenyl acetate
• CAS No.: 53744-50-6
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID9052181
• Nikkaji Number: J494.629D
• Mol file: 53744-50-6.mol

Synonyms:4-(1-hydroxyethyl)phenyl acetate;53744-50-6;[4-(1-hydroxyethyl)phenyl] acetate;4-Acetoxyphenyl methyl carbinol;(p-Acetoxyphenyl)methyl carbinol;1-(4-(Acetyloxy)phenyl)ethanol;4-(Acetyloxy)-alpha-methylbenzenemethanol;C-909;Benzenemethanol, 4-(acetyloxy)-alpha-methyl-;Benzenemethanol, 4-(acetyloxy)-.alpha.-methyl-;Benzyl alcohol, p-hydroxy-alpha-methyl-, 4-acetate;4'-acetoxyphenylmethylcarbinol;1-(p-acetoxyphenyl)ethanol;4-acetoxyphenyl methylcarbinol;SCHEMBL1454538;DTXSID9052181;4-Acetoxy-alpha-methylbenzyl alcohol;LS-30579;Benzyl alcohol, p-hydroxy-alpha-methyl-, 4-acetate (6CI)

Chemical Property of 4-(1-Hydroxyethyl)phenyl acetate

Chemical Property:

• Vapor Pressure: 0.000957mmHg at 25°C
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 122.4°C
• PSA: 46.53000
• Density: 1.139g/cm³
• LogP: 1.66520
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

[4-(1-HYDROXYETHYL)PHENYL] ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Toxic by ingestion. A severe skin irritant.
• Hazard Codes: Toxic by ingestion. A severe skin irritant.

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(1-Hydroxyethyl)phenyl acetate

There total 12 articles about 4-(1-Hydroxyethyl)phenyl 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: 96.3%

4-acetyloxyacetophenone (13031-43-1) → 4'-acetoxyphenylmethylcarbinol (53744-50-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 30 ℃; for 5h; under 15001.5 Torr;

Reference yield: 77.0%

1-(4-hydroxyphenyl)ethanol (93453-79-3,166164-76-7,2380-91-8) + acetic anhydride (108-24-7) → 4'-acetoxyphenylmethylcarbinol (53744-50-6)

Guidance literature:

With sodium hydroxide; In water; isopropyl alcohol; for 0.5h; Ambient temperature;

DOI:10.1080/00397919208021671

Reference yield: 74.0%

p-acetoxystyrene (2628-16-2) → 4'-acetoxyphenylmethylcarbinol (53744-50-6)

Guidance literature:

With phenylsilane; oxygen; lithium ethoxide; In tetrahydrofuran; at 30 ℃; for 40h; under 750.075 Torr; Reagent/catalyst; Catalytic behavior;

DOI:10.1246/bcsj.20190251

upstream raw materials:

4-acetyloxyacetophenone

1-(4-hydroxyphenyl)ethanol

acetic anhydride

4-formylphenyl acetate

Downstream raw materials:

p-acetoxystyrene

1-acetoxy-4-(1-acetoxy-ethyl)-benzene

1-(4-hydroxyphenyl)ethanol

β-4-acetoxy-(α-methyl)-benzyl-dihydroartemisinin ether

Refernces

• 1、 Ni?anc?, Bilal,Da?alan, Ziya. "A facile and highly efficient transfer hydrogenation of ketones and aldehydes catalyzed by palladium nanoparticles supported on mesoporous graphitic carbon nitride". . p. 14 - 19. Retrieved 2019/11/14.
• 2、 Ang, Hwee Ting,Rygus, Jason P. G.,Hall, Dennis G.. "Two-component boronic acid catalysis for increased reactivity in challenging Friedel-Crafts alkylations with deactivated benzylic alcohols". supporting information. p. 6007 - 6014. Retrieved 2019/06/24.