2-(Furan-2-yl)acetic acid

Base Information

• Chemical Name: 2-(Furan-2-yl)acetic acid
• CAS No.: 2745-26-8
• Molecular Formula: C6H6O3
• Molecular Weight: 126.112
• Hs Code.: 2932190090
• European Community (EC) Number: 220-380-3
• UNII: C2XFE1JTO5
• DSSTox Substance ID: DTXSID60181864
• Nikkaji Number: J299.206J
• Wikidata: Q27275106
• Mol file: 2745-26-8.mol

Synonyms:2-(furan-2-yl)acetic acid;2745-26-8;2-furanacetic acid;2-FURYLACETIC ACID;Furan-2-acetic acid;furylacetic acid;(furan-2-yl)acetic acid;UNII-C2XFE1JTO5;MFCD00798036;C2XFE1JTO5;EINECS 220-380-3;Furfurylacetic acid;2-furyl acetic acid;2-furyl-acetic acid;fur-2-ylacetic acid;furan-2-ylacetic acid;furan-2-yl-acetic acid;2-(uran-2-yl)acetic acid;2-Furanacetic acid, 97%;SCHEMBL501135;DTXSID60181864;CHEBI:178061;AMY31140;STL227764;AKOS000271592;CS-W005298;DS-5275;FT-0645530;EN300-80859;W10208;(R)-2-Aminohept-6-enoic acid hydrochloride salt;A846566;J-509544;Q27275106;Z1179936226;SJU

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

Chemical Property:

• Vapor Pressure: 0.0304mmHg at 25°C
• Melting Point: 68.5 ºC
• Refractive Index: 1.507
• Boiling Point: 233.8 °C at 760 mmHg
• PKA: 4.16±0.10(Predicted)
• Flash Point: 95.2 °C
• PSA: 50.44000
• Density: 1.265 g/cm³
• LogP: 0.90670
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• 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:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=COC(=C1)CC(=O)O
• Uses: 2-(Furan-2-yl)acetic Acid is one of the compounds detected in tobacco smoke condensate.

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

There total 26 articles about 2-(Furan-2-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: 97.8%

2-(furan-2-yl)acetonitrile (2745-25-7) → furan-2-yl-acetic acid (2745-26-8)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

Reference yield: 92.0%

2,2,2-trichloro-1-furan-2-yl-ethanol (70033-16-8) → furan-2-yl-acetic acid (2745-26-8)

Guidance literature:

2,2,2-trichloro-1-furan-2-yl-ethanol; With sodium tetrahydroborate; diphenyl diselenide; In ethanol; Inert atmosphere;

With sodium hydroxide; In ethanol; at 40 ℃; Inert atmosphere;

DOI:10.1021/ol8016484

Reference yield: 90.0%

N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)-2-furylglycinonitrile → furan-2-yl-acetic acid (2745-26-8) + N-(2,3,4,6-tetra-O-pivaloyl-D-glucopyranosyl)amine (888963-33-5)

Guidance literature:

With hydrogen bromide; acetic acid; In dichloromethane; water; at 20 ℃; for 1.5h;

DOI:10.1016/j.tet.2005.03.095

upstream raw materials:

2-(furan-2-yl)acetaldehyde

2-(furan-2-yl)acetonitrile

furan-2-yl-oxo-acetic acid

α-(furan-2-yl)malonic acid

Downstream raw materials:

methyl furan-2-ylacetate

ethyl 2-furanacetate

2-(furan-2-yl)-N-phenylacetamide

2-methylfuran

Refernces

• 1、 Burke, Ashleigh J.,Lovelock, Sarah L.,Frese, Amina,Crawshaw, Rebecca,Ortmayer, Mary,Dunstan, Mark,Levy, Colin,Green, Anthony P.. "Design and evolution of an enzyme with a non-canonical organocatalytic mechanism". . p. 219 - 223. Retrieved 2019/06/13.
• 2、 -. "Green method for preparing 2-furosetyl ketone acid". Paragraph 0016-0020. . Retrieved 2019/12/31.