4-(Ethoxycarbonyl)furan-3-carboxylic acid

Base Information

• Chemical Name: 4-(Ethoxycarbonyl)furan-3-carboxylic acid
• CAS No.: 34501-80-9
• Molecular Formula: C8H8 O5
• Molecular Weight: 184.149
• NSC Number: 115160
• DSSTox Substance ID: DTXSID50297302
• Nikkaji Number: J639.182F
• Wikidata: Q82038328
• ChEMBL ID: CHEMBL1883556
• Mol file: 34501-80-9.mol

Synonyms:34501-80-9;4-(ethoxycarbonyl)furan-3-carboxylic acid;3,4-Furandicarboxylicacid, 3-ethyl ester;MLS002706610;NSC115160;4-ethoxycarbonyl-3-furoic acid;CHEMBL1883556;SCHEMBL11082629;DTXSID50297302;KYXWQEYKJFHYIX-UHFFFAOYSA-N;ethyl hydrogen furan-3,4-dicarboxylate;NSC-115160;SMR001574011;Furan-3,4-dicarboxylic acid monoethyl ester

Chemical Property of 4-(Ethoxycarbonyl)furan-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000116mmHg at 25°C
• Boiling Point: 322.4°C at 760 mmHg
• Flash Point: 148.8°C
• Density: 1.323g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 184.03717335
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC=C1C(=O)O

Technology Process of 4-(Ethoxycarbonyl)furan-3-carboxylic acid

There total 3 articles about 4-(Ethoxycarbonyl)furan-3-carboxylic 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: 86.0%

diethyl 3,4-furandicarboxylate (30614-77-8) → 3,4-Furandicarboxylic Acid Monoethyl Ester (34501-80-9)

Guidance literature:

With sodium hydroxide; phosphate buffer; for 3h; Ambient temperature; pig liver esterase;

DOI:10.1080/00397919508011411

Reference yield:

aqueous KHSO4 + diethyl 3,4-furandicarboxylate (30614-77-8) → 3,4-Furandicarboxylic Acid Monoethyl Ester (34501-80-9)

Guidance literature:

With potassium hydroxide; In ethanol;

Reference yield:

→ 3,4-Furandicarboxylic Acid Monoethyl Ester (34501-80-9)

Guidance literature:

aus 1, NaOH;

DOI:10.1055/s-1971-21772

upstream raw materials:

diethyl 3,4-furandicarboxylate

Downstream raw materials:

ethyl 3-furancarboxylate

3-isocyanato-4-furoyl chloride

furan-3-methanol

3-(chloromethyl)furan

Refernces

• 1、 Yabu, Kazuo,Masumoto, Shuji,Kanai, Motomu,Curran, Dennis P.,Shibasaki, Masakatsu. "Studies toward practical synthesis of (20S)-camptothecin family through catalytic enantioselective cyanosilylation of ketones: Improved catalyst efficiency by ligand-tuning". . p. 2923 - 2926. Retrieved 2007/10/03.
• 2、 -. "1-Furyl-3,4-dihydro-isoquinolines". . . Retrieved 2008/06/13.