2-(2-Methylphenyl)ethyl acetate

Base Information

• Chemical Name: 2-(2-Methylphenyl)ethyl acetate
• CAS No.: 22532-46-3
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.2277
• NSC Number: 190950
• DSSTox Substance ID: DTXSID60307385
• Nikkaji Number: J1.918.421H
• Wikidata: Q82054771
• Mol file: 22532-46-3.mol

Synonyms:2-(2-methylphenyl)ethyl acetate;2-Methylphenethyl acetate;22532-46-3;NSC190950;2-Methylphenethylacetate;SCHEMBL8655277;DTXSID60307385;NSC-190950

Chemical Property of 2-(2-Methylphenyl)ethyl acetate

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Boiling Point: 256.8°Cat760mmHg
• Flash Point: 110.7°C
• Density: 1.018g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCOC(=O)C

Technology Process of 2-(2-Methylphenyl)ethyl acetate

There total 5 articles about 2-(2-Methylphenyl)ethyl 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: 91.0%

isochromane (493-05-0) + acetic anhydride (108-24-7) → 2-(2-methylphenyl)ethyl acetate (22532-46-3)

Guidance literature:

isochromane; With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 20 ℃; for 0.5h;

With lithium chloride; zinc dibromide; In tetrahydrofuran; at -78 ℃; for 0.166667h;

acetic anhydride; In tetrahydrofuran; at -78 - 20 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00758-0

Reference yield: 90.0%

isochromane (493-05-0) + acetyl chloride (75-36-5) → 2-(2-methylphenyl)ethyl acetate (22532-46-3)

Guidance literature:

isochromane; With 4,4'-di-tert-butylbiphenyl; lithium; In tetrahydrofuran; at 20 ℃; for 0.5h;

With zinc dibromide; In tetrahydrofuran;

acetyl chloride; In tetrahydrofuran; at -78 ℃;

DOI:10.1016/S0040-4020(03)00758-0

Reference yield: 65.0%

2-o-tolylethanol (19819-98-8) + acetyl chloride (75-36-5) → 2-(2-methylphenyl)ethyl acetate (22532-46-3)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol901437f

upstream raw materials:

isochromane

acetic anhydride

acetyl chloride

2-o-tolylethanol

Downstream raw materials:

(-)-(2R,3'S,4'R,6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-4'-(triisopropylsilyloxy)-3',4,4',5,5',6'-hexahydro-1H-spiro[benzo[d]oxepine-2,2'-pyran]-3'-ol

(+)-(2S,3'S,4'R,6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-4'-(triisopropylsilyloxy)-3',4,4',5,5',6'-hexahydro-1H-spiro[benzo[d]oxepine-2,2'-pyran]-3'-ol

(+)-(2S,3'R,4'S,6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-4'-(triisopropylsilyloxy)-3',4,4',5,5',6'-hexahydro-1H-spiro[benzo[d]oxepine-2,2'-pyran]-3'-ol

2-(bromomethyl)phenethyl acetate

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