ChemicalBook--->CAS DataBase List--->2745-26-8

2745-26-8

2745-26-8 Structure

2745-26-8 Structure
IdentificationBack Directory
[Name]

furan-2-acetic acid
[CAS]

2745-26-8
[Synonyms]

2-Furanacetic acid
2-FURYLACETIC ACID
furan-2-acetic acid
2-Furanylacetic acid
2-Furanacetic acid 97%
2-(2-furyl)acetic acid
2-furan-2-ylacetic acid
(Furan-2-yl)acetic acid
2-furan-2-ylethanoic acid
[EINECS(EC#)]

220-380-3
[Molecular Formula]

C6H6O3
[MDL Number]

MFCD00798036
[MOL File]

2745-26-8.mol
[Molecular Weight]

126.11
Chemical PropertiesBack Directory
[Melting point ]

64-69 °C
[Boiling point ]

234℃
[density ]

1.265
[refractive index ]

1.5627 (estimate)
[Fp ]

95℃
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.16±0.10(Predicted)
[color ]

Dark Beige to Very Dark Yellow
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38-41
[Safety Statements ]

26-39
[WGK Germany ]

3
[HS Code ]

2932190090
Hazard InformationBack Directory
[Uses]

2-(Furan-2-yl)acetic Acid is one of the compounds detected in tobacco smoke condensate.
[Definition]

ChEBI: 2-furanacetic acid is a heteroarene.
[Synthesis]

2-FURYLACETONITRILE

2745-25-7

furan-2-acetic acid

2745-26-8

The general procedure for the synthesis of 2-furanacetic acid from 2-(furan-2-yl)acetonitrile was as follows: to a solvent mixture of 30 mL of 3N sodium hydroxide solution and 30 mL of methanol, 3.34 g (31.2 mmol) of 2-(furan-2-yl)acetonitrile was added, and stirred until it was completely dissolved. The reaction mixture was heated to reflux for 2 hours and 30 minutes with continuous stirring. After completion of the reaction, the solution was cooled to room temperature and separated by extraction with ether. The aqueous phase was acidified with 20 mL of concentrated hydrochloric acid to release the organic products and extracted again with ether. The ether extracts were combined, dried with anhydrous magnesium sulfate and concentrated under reduced pressure to give 3.84 g (30.5 mmol) of 2-furanacetic acid in 97.8% yield.

[References]

[1] Patent: US6215016, 2001, B1
[2] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1993, # 10, p. 1941 - 1946
[3] Collection of Czechoslovak Chemical Communications, 1980, vol. 45, # 5, p. 1361 - 1365
[4] Chemische Berichte, 1930, vol. 63, p. 749,753
[5] Journal of the American Chemical Society, 1930, vol. 52, p. 1284
Spectrum DetailBack Directory
[Spectrum Detail]

furan-2-acetic acid(2745-26-8)1HNMR
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