Phenethyl alcohol, m-methoxy-, acetate

Base Information

• Chemical Name: Phenethyl alcohol, m-methoxy-, acetate
• CAS No.: 33709-39-6
• Molecular Formula: C11H14O3
• Molecular Weight: 194.2271
• NSC Number: 190952
• DSSTox Substance ID: DTXSID10187391
• Wikidata: Q83059085
• Mol file: 33709-39-6.mol

Synonyms:33709-39-6;3-Methoxyphenethyl acetate;Phenethyl alcohol, m-methoxy-, acetate;2-(3-methoxyphenyl)ethyl acetate;Phenethyl alcohol,m-methoxy-,acetate;NSC190952;3-Methoxyphenethylacetate;DTXSID10187391;NSC 190952;NSC-190952

Chemical Property of Phenethyl alcohol, m-methoxy-, acetate

Chemical Property:

• Vapor Pressure: 0.00393mmHg at 25°C
• Boiling Point: 279.8°Cat760mmHg
• Flash Point: 112.3°C
• Density: 1.062g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC1=CC(=CC=C1)OC

Technology Process of Phenethyl alcohol, m-methoxy-, acetate

There total 2 articles about Phenethyl alcohol, m-methoxy-, 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:

3-(3-methoxyphenyl)propanoyl chloride (40478-49-7) → 1-Acetoxy-2--aethan (33709-39-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂O₂, DCC

2: Cu(OAc)2*H₂O, Cu₂O, AcOH / acetonitrile

With copper(I) oxide; copper diacetate; dihydrogen peroxide; acetic acid; dicyclohexyl-carbodiimide; In acetonitrile;

DOI:10.1021/ja01017a022

Reference yield:

Bis-(m-methoxy-benzyl-acetyl)-peroxid (20387-28-4) → 3-methoxystyrene (626-20-0) + 1-Acetoxy-2--aethan (33709-39-6)

Guidance literature:

With copper(I) oxide; copper diacetate; acetic acid; In acetonitrile;

DOI:10.1021/ja01017a022

Reference yield:

1-Acetoxy-2--aethan (33709-39-6) → 2-[2-(1-Chloro-vinyl)-5-methoxy-phenyl]-ethanol (89414-62-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) AlCl₃ 2.)PCl₅ / 1.) CS₂, 0 deg C, 2.) phosphorus oxychloride, 40 to 45 deg C, 2.5 h

2: 93 percent / KOH / methanol; H₂O / 0.17 h

With potassium hydroxide; aluminium trichloride; phosphorus pentachloride; In methanol; water;

DOI:10.1021/jo00183a018

upstream raw materials:

Bis-(m-methoxy-benzyl-acetyl)-peroxid

3-(3-methoxyphenyl)propanoyl chloride

Downstream raw materials:

Acetic acid 2-[2-(1-chloro-vinyl)-5-methoxy-phenyl]-ethyl ester

2-[2-(1-Chloro-vinyl)-5-methoxy-phenyl]-ethanol

4-ethynyl-3-(2-hydroxyethyl)anisole

4-<(trimethylsilyl)ethynyl>-3-(2-bromoethyl)anisole