2-(2-Methoxy-2-oxoethyl)benzoic acid

Base Information

• Chemical Name: 2-(2-Methoxy-2-oxoethyl)benzoic acid
• CAS No.: 14736-50-6
• Molecular Formula: C10H10 O4
• Molecular Weight: 194.187
• Hs Code.: 2918990090
• European Community (EC) Number: 826-395-7
• DSSTox Substance ID: DTXSID40163688
• Nikkaji Number: J1.003.105B
• Mol file: 14736-50-6.mol

Synonyms:2-(2-Methoxy-2-oxoethyl)benzoic acid;14736-50-6;Benzoic acid, 2-(2-methoxy-2-oxoethyl)-;MFCD00661540;2-(2-Methoxy-2-oxoethyl)benzoicacid;Benzeneacetic acid, 2-carboxy-, 1-methyl ester;Methyl o-carboxyphenylacetate;AG-777/25006353;SCHEMBL3916488;DTXSID40163688;2-methoxycarbonylmethylbenzoic acid;CK2250;2-(Methoxycarbonylmethyl)benzoic acid;AKOS006273956;CS-W021383;2-(2-Methoxy-2-oxoethyl)benzoic acid #;DS-12908;SY103548;FT-0710560;Phenacetic acid, 2-carboxy-, methyl(ester);EN300-198246;A1-00423;Z1198154414

Chemical Property of 2-(2-Methoxy-2-oxoethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 0.000128mmHg at 25°C
• Melting Point: 98-100 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 320.9°C at 760 mmHg
• PKA: 3.69±0.36(Predicted)
• Flash Point: 126.5°C
• PSA: 63.60000
• Density: 1.254g/cm³
• LogP: 1.10030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Methoxy-2-Oxoethyl)BenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC=CC=C1C(=O)O

Technology Process of 2-(2-Methoxy-2-oxoethyl)benzoic acid

There total 10 articles about 2-(2-Methoxy-2-oxoethyl)benzoic acid 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: 100.0%

methanol (67-56-1) + homophthalic anhydride (703-59-3) → o-(methoxycarbonylmethyl)benzoic acid (14736-50-6)

Guidance literature:

at 20 ℃; for 24h;

DOI:10.1002/hlca.200490182

Reference yield: 100.0%

methanol (67-56-1) + Homophthalic acid (89-51-0) → o-(methoxycarbonylmethyl)benzoic acid (14736-50-6)

Guidance literature:

With thionyl chloride; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2006.06.050

Reference yield: 96.0%

methanol (67-56-1) + Homophthalic acid (89-51-0) → dimethyl homophthalate (716-43-8) + o-(methoxycarbonylmethyl)benzoic acid (14736-50-6)

Guidance literature:

With thionyl chloride; at 25 - 27 ℃; for 10h;

upstream raw materials:

methanol

Homophthalic acid

3-methoxy-1H-isochromen-1-one

dimethyl homophthalate

Downstream raw materials:

methyl o-tolylacetate

2-[3-(Diethoxy-phosphoryl)-2-oxo-propyl]-benzoic acid methyl ester

methyl 2-(1-methoxy-1-oxopropan-2-yl)benzoate

2-(7-Methoxy-4-oxo-4H-chromen-2-ylmethyl)-benzoic acid

Refernces

• 1、 Furuta, Akihiro,Fukuyama, Takahide,Ryu, Ilhyong. "Efficient flow fischer esterification of carboxylic acids with alcohols using sulfonic acid-functionalized silica as supported catalyst". . p. 607 - 612. Retrieved 2017/06/19.
• 2、 Krohn, Karsten,Vidal, Anne,Tran-Thien, Hoan Trang,Floerke, Ulrich,Bechthold, Andreas,Dujardin, Gilles,Green, Ivan. "Total synthesis of silyl-protected early intermediates of polyketide biosynthesis". scheme or table. p. 3080 - 3092. Retrieved 2010/08/07.