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3-(Ethoxycarbonyl)benzoic acid

Base Information Edit
  • Chemical Name:3-(Ethoxycarbonyl)benzoic acid
  • CAS No.:18189-42-9
  • Molecular Formula:C10H10O4
  • Molecular Weight:194.187
  • Hs Code.:
  • European Community (EC) Number:853-671-4
  • Nikkaji Number:J1.237.534D
  • Wikidata:Q107891290
  • Mol file:18189-42-9.mol
3-(Ethoxycarbonyl)benzoic acid

Synonyms:3-(ethoxycarbonyl)benzoic acid;Ethyl hydrogen isophthalate;SCHEMBL557443;isophthalic acid monoethyl ester;isophthalic acid mono ethyl ester;HOPNITFHNCUXTG-UHFFFAOYSA-N;AKOS006293905;EN300-176855

Suppliers and Price of 3-(Ethoxycarbonyl)benzoic acid
Supply Marketing:Edit
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 4 raw suppliers
Chemical Property of 3-(Ethoxycarbonyl)benzoic acid Edit
Chemical Property:
  • Melting Point:115-117 °C(Solv: water (7732-18-5)) 
  • Boiling Point:349.0±25.0 °C(Predicted) 
  • PKA:3.83±0.10(Predicted) 
  • PSA:66.43000 
  • Density:1.241±0.06 g/cm3(Predicted) 
  • LogP:0.22680 
  • XLogP3:2.2
  • 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:

97% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCOC(=O)C1=CC=CC(=C1)C(=O)O
Technology Process of 3-(Ethoxycarbonyl)benzoic acid

There total 9 articles about 3-(Ethoxycarbonyl)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:
Guidance literature:
With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate; at 25 ℃; for 12h; under 760 Torr;
DOI:10.1021/jo990631f
Guidance literature:
3-iodobenzoic acid methyl ester; With phenyllithium; In tetrahydrofuran; diethyl ether; cyclohexane; at -60 ℃; for 3.88889E-06h; Flow reactor;
carbon dioxide; In tetrahydrofuran; diethyl ether; cyclohexane; at -60 ℃; Flow reactor;
DOI:10.1002/chem.201402520
Guidance literature:
With dmap; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 90 ℃; for 0.5h; Microwave irradiation;
DOI:10.1039/c3nj00548h
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