Methyl 2-ethenylbenzoate

Base Information

• Chemical Name: Methyl 2-ethenylbenzoate
• CAS No.: 27326-44-9
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80501863
• Nikkaji Number: J340.474I
• Wikidata: Q82354531
• Mol file: 27326-44-9.mol

Synonyms:methyl 2-vinylbenzoate;Methyl 2-ethenylbenzoate;27326-44-9;Benzoic acid, 2-ethenyl-, methyl ester;methyl2-vinylbenzoate;methyl o-vinyl-benzoate;SCHEMBL61520;DTXSID80501863;2-vinyl-benzoic acid methyl ester;MPHUYCIKFIKENX-UHFFFAOYSA-N;CBA32644;MFCD02149452;BS-51678;CS-0162905;F53555;EN300-1708142

Chemical Property of Methyl 2-ethenylbenzoate

Chemical Property:

• Boiling Point: 253.0±19.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 2.11620
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-ethenylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C=C

Technology Process of Methyl 2-ethenylbenzoate

There total 33 articles about Methyl 2-ethenylbenzoate 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: 99.0%

2-bromobenzoic acid methyl ester (610-94-6) + potassium vinyltrifluoroborate → methyl o-vinylbenzoate (27326-44-9)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In tetrahydrofuran; water; at 85 ℃; for 12h; Inert atmosphere;

DOI:10.1002/chem.201804152

Reference yield: 96.0%

2-vinylbenzoic acid (27326-43-8) + methyl iodide (74-88-4) → methyl o-vinylbenzoate (27326-44-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16.5h;

DOI:10.1021/acs.joc.8b02885

Reference yield: 96.0%

2-ethynyl-benzoic acid methyl ester (33577-99-0) → methyl o-vinylbenzoate (27326-44-9)

Guidance literature:

With quinoline; hydrogen; Lindlar's catalyst; In Petroleum ether; for 12h;

DOI:10.1021/jo00075a045

upstream raw materials:

methanol

2-vinylbenzoic acid chloride

ethene

2-bromobenzoic acid methyl ester

Downstream raw materials:

Methyl 2-<3-(3,4-methylenedioxyphenyl)-2-isoxazolin-5-yl>benzoate

Methyl 2-<3-<3-(trifluoromethyl)phenyl>-2-isoxazolin-5-yl>benzoate

2-vinylbenzaldehyde

2-vinylbenzoic acid chloride