Methyl 2-mesitylacetate

Base Information

• Chemical Name: Methyl 2-mesitylacetate
• CAS No.: 41841-19-4
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID301288882
• Nikkaji Number: J3.570.770K
• Mol file: 41841-19-4.mol

Synonyms:Methyl 2-mesitylacetate;41841-19-4;methyl 2-(2,4,6-trimethylphenyl)acetate;2,4,6-Trimethyl-benzeneacetic acid methyl ester;Methyl Mesitylacetate;Methyl2-mesitylacetate;SCHEMBL769278;SOZFJDHOYOEDBF-UHFFFAOYSA-N;DTXSID301288882;Methyl 2,4,6-trimethylbenzeneacetate;methyl(2,4,6-trimethylphenyl)acetate;AKOS022342914;methyl (2,4,6-trimethylphenyl)acetate;Methyl 2,4,6-Trimethyl-benzeneacetate;2,4,6-Trimethylphenylacetic acid methyl ester;(2,4,6-trimethyl-phenyl)-acetic acid methyl ester

Chemical Property of Methyl 2-mesitylacetate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

2,4,6-Trimethyl-benzeneaceticacidmethylester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 2-mesitylacetate

There total 7 articles about Methyl 2-mesitylacetate 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: 57.0%

methanol (67-56-1) + 2-mesitylacetic acid (4408-60-0) → methyl 2-mesitylacetate (41841-19-4)

Guidance literature:

With hydrogenchloride; In water; for 3h; Heating / reflux;

Reference yield: 31.0%

methanol (67-56-1) + 1,1-Dibrom-2-(2,4,6-trimethylphenyl)ethylen (77295-61-5) → methyl 2-mesitylacetate (41841-19-4)

Guidance literature:

With triethylsilane; cyclohexa-1,4-diene; oxygen; cobalt acetylacetonate; In nonane; at 24 ℃; under 760.051 Torr; Reagent/catalyst;

DOI:10.1021/acs.joc.6b01709

Reference yield: 18.0%

2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone (50690-12-5) → 5,7-dimethylindan-1-one (6682-69-5) + 2,4,6-Trimethylacetophenone (1667-01-2,51885-97-3) + methyl 2-mesitylacetate (41841-19-4) + 1-(3-Chloro-2,4,6-trimethyl-phenyl)-ethanone (99376-43-9)

Guidance literature:

In methanol; for 16h; Irradiation;

DOI:10.1021/jo00350a036

upstream raw materials:

methanol

2-mesitylacetic acid

2-chloro-1-(2,4,6-trimethyl-phenyl)-ethanone

1,3,5-trimethyl-benzene

Downstream raw materials:

2-mesitylacetic acid

2-(2,4,6-Trimethyl-phenyl)-ethyl-p-toluolsulfonat

2-(2,4,6-trimethylphenyl)ethanol

1'-(2-mesitylethyl)-6-methoxy-3,4-dihydro-1H-spiro[naphthalene-2,2'-piperidin]-1-one hydrochloride