2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid

Base Information

Chemical Name:2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid
CAS No.:67643-18-9
Molecular Formula:C12H9NO5
Molecular Weight:247.207
Hs Code.:
European Community (EC) Number:965-355-4
DSSTox Substance ID:DTXSID90497041
Nikkaji Number:J2.290.142G
Wikidata:Q82346367

Synonyms:67643-18-9;2-(4-(Methoxycarbonyl)oxazol-5-yl)benzoic acid;2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid;SCHEMBL12898707;DTXSID90497041

Suppliers and Price of 2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:247.04807239
Heavy Atom Count:18
Complexity:332

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(OC=N1)C2=CC=CC=C2C(=O)O

Technology Process of 2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]benzoic acid

There total 2 articles about 2-[4-(Methoxycarbonyl)-1,3-oxazol-5-yl]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: 56.0%

: 85-44-9
phthalic anhydride

: 39687-95-1
isocyanoacetic acid methyl ester

: 67643-18-9
5-(2-carboxy-phenyl)-oxazole-4-carboxylic acid methyl ester

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 24h;
DOI:10.1016/j.tetlet.2006.01.116

Reference yield:

: 85-44-9
phthalic anhydride

: 105-34-0
methyl 2-cyanoacetate

: 67643-18-9
5-(2-carboxy-phenyl)-oxazole-4-carboxylic acid methyl ester

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;
DOI:10.1055/s-1978-24782

Reference yield:

: 67643-18-9
5-(2-carboxy-phenyl)-oxazole-4-carboxylic acid methyl ester

: 5-[2-(6-amino-hexylcarbamoyl)-phenyl]-oxazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: (COCl)2; Et₃N

2: BBTO / toluene / 24 h / Heating

3: HCl / dioxane

With hydrogenchloride; oxalyl dichloride; triethylamine; In 1,4-dioxane; toluene;
DOI:10.1016/j.tetlet.2006.01.116