ChemicalBook > CAS DataBase List > 3-Methyl-2-furoic acid

3-Methyl-2-furoic acid

Product Name: 3-Methyl-2-furoic acid
CAS No.: 4412-96-8
Chemical Name: 3-Methyl-2-furoic acid
Synonyms: Elsholtzic acid;TIMTEC-BB SBB004257;3-Methylpyromucic Acid;3-METHYL-2-FUROIC ACID;3-Methyl-2-furoic acid 97%;3-METHYL-2-FUROIC ACID, 98+%;3-METHYLFURAN-2-CARBOXYLIC ACID;3-Methyl-2-furancarboxylicAcid>2-Furancarboxylic acid, 3-methyl-
CBNumber: CB6737922
Molecular Formula: C6H6O3
Formula Weight: 126.11
MOL File: 4412-96-8.mol

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3-Methyl-2-furoic acid Property

Melting point:: 134-138 °C
Boiling point:: 174.21°C (rough estimate)
Density: 1.2048 (rough estimate)
refractive index: 1.4189 (estimate)
storage temp.: 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: 3.45±0.20(Predicted)
color: White to Almost white
BRN: 116183
CAS DataBase Reference: 4412-96-8(CAS DataBase Reference)
NIST Chemistry Reference: 3-Methyl-2-furoic acid(4412-96-8)

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Safety

Hazard Codes: Xn,Xi
Risk Statements: 36/37/38-20/21/22
Safety Statements: 36/37/39-26-36
WGK Germany: 3
HS Code: 29321900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 667994
Product name: 3-Methyl-2-furoic acid
Purity: 97%
Packaging: 1g
Price: $91.6
Updated: 2025/07/31

Sigma-Aldrich

Product number: 667994
Product name: 3-Methyl-2-furoic acid
Purity: 97%
Packaging: 5g
Price: $286
Updated: 2023/06/20

TCI Chemical

Product number: M2376
Product name: 3-Methyl-2-furancarboxylic Acid
Purity: >98.0%(GC)(T)
Packaging: 1g
Price: $52
Updated: 2025/07/31

TCI Chemical

Product number: M2376
Product name: 3-Methyl-2-furancarboxylic Acid
Purity: >98.0%(GC)(T)
Packaging: 5g
Price: $157
Updated: 2025/07/31

TRC

Product number: M219553
Product name: 3-Methyl-2-furoic acid
Packaging: 25mg
Price: $45
Updated: 2021/12/16

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3-Methyl-2-furoic acid Chemical Properties,Usage,Production

Chemical Properties

white to beige powder

Uses

Used in a palladium-catalyzed cross-coupling between heteroaryl carboxylic acids and aryl bromides leading to arylated heterocycles. Also used in a palladium-catalyzed asymmetric hydrogenation.

Uses

3-Methyl-2-furoic acid can be used in a palladium-catalyzed cross-coupling between heteroaryl carboxylic acids and aryl bromides leading to arylated heterocycles.1 Also used in a palladium-catalyzed asymmetric hydrogenation.

Definition

ChEBI: 3-Methyl-2-furoic acid is a furoic acid.

Synthesis

6141-57-7

4412-96-8

The general procedure for the synthesis of 3-methyl-2-furoic acid from 3-methyl-2-furan methyl ester was as follows: 3-methyl-2-furoic acid methyl ester (2.0 g, 14.3 mmol) was mixed with 30% aqueous sodium hydroxide solution (3.8 mL, 28.5 mmol) and methanol (3.6 mL, 88.8 mmol) and the reaction was carried out under refluxing conditions for 3.5 hours. After completion of the reaction, the solvent was removed by rotary evaporation. The crude product was dissolved in water (10 mL) and the pH was adjusted with concentrated hydrochloric acid to 1. Subsequently, extraction was carried out with ether (4 x 3 mL), the organic phases were combined and dried with anhydrous magnesium sulfate. After filtration, the filtrate was concentrated to dryness to give 3-methyl-2-furoic acid (1.7 g, 13.6 mmol, 95% yield). The melting point of the product was 135 °C (ether). 1H NMR (400 MHz, CDCl3, δ, ppm): 2.40 (3H, s, CH3), 6.41 (1H, d, J4,5 = 1.6 Hz, H4), 7.52 (1H, d, J5,4 = 1.6 Hz, H5). 13C NMR (100 MHz, CDCl3, δ, ppm): 170.2 (COO), 150.1 (C5), 139.9 (C2), 125.3 (C3), 112.0 (C4), 13.3 (Me). IR (membrane, ν, cm-1): 1102 (st.CO), 1136 (st.CO), 1189 (st.CO), 1488 (def.CH), 1599 (st.C=C Ar.), 1670 (st.C=O), 2200-3200 (st.OH). MS (EI, m/z, %): 126.03 (M+, 100); 127.03 (7); 109.03 (M+-OH, 20); 81.03 (40, M+-CHO2). Elemental Analysis (EA). Calculated value C6H6O3: C (57.14), H (4.80). Measured value: C (57.11), H (4.83).

References

[1] Tetrahedron, 2012, vol. 68, # 48, p. 9982 - 9998,17
[2] Tetrahedron, 2012, vol. 68, # 48, p. 9982 - 9998
[3] Patent: US5157134, 1992, A
[4] Patent: US6642237, 2003, B1. Location in patent: Page/Page column 174-175
[5] Journal of Photochemistry and Photobiology A: Chemistry, 2017, vol. 349, p. 7 - 17

3-Methyl-2-furoic acid Preparation Products And Raw materials

Raw materials

Ethanol Acetylacetaldehyde dimethyl acetal Sodium chloride Sodium Diethyl ether Hydrochloric acid Acetic acid Methanol Sodium hydroxide Magnesium sulfate Methyl chloroacetate

Preparation Products

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View Lastest Price from 3-Methyl-2-furoic acid manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 3-Methyl-2-furoic acid 4412-96-8
Price: US $2.20-8.80/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-24

Career Henan Chemical Co

Product: 3-Methyl-2-furoic acid 4412-96-8
Price: US $1.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 200KG
Release date: 2020-01-09

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4412-96-8

ARYL ACID

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