2,5-Dimethylphenyl acetate

Base Information

• Chemical Name: 2,5-Dimethylphenyl acetate
• CAS No.: 877-48-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2915390090
• European Community (EC) Number: 212-893-6
• NSC Number: 5305
• UNII: SCF35Q9C57
• DSSTox Substance ID: DTXSID40236568
• Nikkaji Number: J195.170J
• Wikidata: Q83118536
• Mol file: 877-48-5.mol

Synonyms:2,5-Dimethylphenyl acetate;877-48-5;(2,5-dimethylphenyl) acetate;2,5-Xylyl acetate;SCF35Q9C57;NSC-5305;EINECS 212-893-6;NSC5305;acetic acid 2,5-dimethylphenyl ester;2,5-Xylenol, acetate;2,5-Dimethylphenol acetate;UNII-SCF35Q9C57;SCHEMBL3324155;DTXSID40236568;Phenol, 2,5-dimethyl-, acetate;NSC 5305;MFCD03357477;AKOS005071737;FT-0680817;ACETIC ACID 2,5-DIMETHYL-PHENYL ESTER

Chemical Property of 2,5-Dimethylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.0891mmHg at 25°C
• Refractive Index: 1.5070 (estimate)
• Boiling Point: 224.9°C at 760 mmHg
• Flash Point: 88.8°C
• PSA: 26.30000
• Density: 1.028g/cm³
• LogP: 2.22870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dimethylphenyl acetate >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)OC(=O)C

Technology Process of 2,5-Dimethylphenyl acetate

There total 16 articles about 2,5-Dimethylphenyl 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: 98.0%

2,5-Dimethylphenol (95-87-4) + acetic anhydride (108-24-7) → 2,5-dimethylphenyl acetate (877-48-5)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/jo050050s

Reference yield: 86.0%

para-xylene (106-42-3) + acetic acid (64-19-7,77671-22-8) → 2,5-dimethylphenyl acetate (877-48-5)

Guidance literature:

With sodium nitrate; acetic anhydride; trifluoroacetic acid; at 50 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.1c02183

Reference yield: 42.89%

para-xylene (106-42-3) + acetic anhydride (108-24-7) → 2,5-dimethylphenyl acetate (877-48-5) + mononitro-p-xylene (89-58-7)

Guidance literature:

With nitric acid; at 35 ℃; for 7h; Temperature;

upstream raw materials:

para-xylene

acetic anhydride

potassium acetate

(E)-1,4-dimethyl-4-nitrocyclohexa-2,5-dienyl acetate

Downstream raw materials:

2,5-Dimethylphenol

1-(4-hydroxy-2,5-dimethylphenyl)ethanone

2-hydroxy-3,6-dimethylacetophenone

3,5-dimethyl-2-hydroxyacetophenone

Refernces

• 1、 -. "One-pot process for preparing acetic acid -2, 5 -dimethylphenyl ester and 2,5 -dimethylnitrobenzene (by machine translation)". Paragraph 0042-0046. . Retrieved 2020/06/16.
• 2、 -. "TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF". Paragraph 0863. . Retrieved 2015/11/24.