2-(Furan-3-yl)acetic acid

Base Information

• Chemical Name: 2-(Furan-3-yl)acetic acid
• CAS No.: 123617-80-1
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• Hs Code.: 2932190090
• European Community (EC) Number: 828-051-1
• DSSTox Substance ID: DTXSID50356004
• Nikkaji Number: J2.222.690H
• Wikidata: Q82135122
• Mol file: 123617-80-1.mol

Synonyms:2-(furan-3-yl)acetic acid;123617-80-1;3-Furanacetic acid;3-furylacetic acid;2-(furan-3-yl)ethanoic acid;FURAN-3-YL-ACETIC ACID;2-(furan-3-yl)aceticacid;AI-942/25034203;SCHEMBL3878505;DTXSID50356004;AMY16301;YEA61780;MFCD01859888;AKOS005266575;SB61985;FT-0721579;D96340;EN300-101018;A902695;Z1179936188;YW6

Chemical Property of 2-(Furan-3-yl)acetic acid

Chemical Property:

• Melting Point: 66.1-66.6℃
• Boiling Point: 227.4±15.0 °C(Predicted)
• PKA: 4.20±0.10(Predicted)
• PSA: 50.44000
• Density: 1.265±0.06 g/cm3(Predicted)
• LogP: 0.90670
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 111

Purity/Quality:

97% ^*data from raw suppliers

2-(Furan-3-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC=C1CC(=O)O

Technology Process of 2-(Furan-3-yl)acetic acid

There total 6 articles about 2-(Furan-3-yl)acetic 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:

methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 2-(furan-3-yl)acetic acid (123617-80-1) + 3-methylfuran-2-carboxylic acid (4412-96-8)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01161a090

Reference yield:

methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 2-(furan-3-yl)acetic acid (123617-80-1) + 3-methylfuran-2-carboxylic acid (4412-96-8)

Guidance literature:

DOI:10.1021/ja01161a090

Reference yield:

3-(chloromethyl)furan (14497-29-1) + potassium cyanide (151-50-8) → 2-(furan-3-yl)acetic acid (123617-80-1) + 3-methylfuran-2-carboxylic acid (4412-96-8)

Guidance literature:

anschliessend Hydrolyse;

DOI:10.1021/ja01161a090

upstream raw materials:

3-(chloromethyl)furan

potassium cyanide

methylammonium carbonate

Downstream raw materials:

2-(furan-3-yl)ethan-1-ol

6β-(2-furan-3-yl-acetylamino)-penicillanic acid