(2,3-Dimethylphenyl)methyl acetate

Base Information

• Chemical Name: (2,3-Dimethylphenyl)methyl acetate
• CAS No.: 13651-57-5
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID001272789
• Nikkaji Number: J2.055.163A

Synonyms:13651-57-5;SCHEMBL3677313;DTXSID001272789;Benzenemethanol, 2,3-dimethyl-, 1-acetate

Chemical Property of (2,3-Dimethylphenyl)methyl acetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (2,3-Dimethylphenyl)methyl acetate

There total 2 articles about (2,3-Dimethylphenyl)methyl 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:

1,2,3-trimethylbenzene (526-73-8) + acetic acid (64-19-7,77671-22-8) → 2,3-dimethylbenzaldehyde (5779-93-1) + acetic acid-(2,3-dimethyl-benzyl ester) (13651-57-5) + 2,6-dimethylbenzyl acetate (62346-87-6)

Guidance literature:

With sodium nitrate; H₅PV₂Mo₁₀O₄₀; at 80 ℃; for 14h;

DOI:10.1021/ja031710i

Reference yield:

→ acetic acid-(2,3-dimethyl-benzyl ester) (13651-57-5)

Guidance literature:

I, 1.) Metallierung (Tab.I), 2.) + BH3, 3.) + H2O2/NaOH, 4.) Acetylierung;

DOI:10.1021/ja00447a033

Reference yield:

acetic acid-(2,3-dimethyl-benzyl ester) (13651-57-5) → (2,3-dimethylphenyl)methanol (13651-14-4)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/jo50013a005

upstream raw materials:

1,2,3-trimethylbenzene

acetic acid

Downstream raw materials:

(2,3-dimethylphenyl)methanol

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