3-Methyl-2-furoic acid
- CAS No.
- 4412-96-8
- Chemical Name:
- 3-Methyl-2-furoic acid
- Synonyms
- 3-METHYLFURAN-2-CARBOXYLIC ACID;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-Methyl-2-furancarboxylicAcid>2-Furancarboxylic acid, 3-methyl-
- CBNumber:
- CB6737922
- Molecular Formula:
- C6H6O3
- Molecular Weight:
- 126.11
- MDL Number:
- MFCD00014111
- MOL File:
- 4412-96-8.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| pka | 3.45±0.20(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| BRN | 116183 |
| InChI | 1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8) |
| InChIKey | BNYIQEFWGSXIKQ-UHFFFAOYSA-N |
| SMILES | Cc1ccoc1C(O)=O |
| CAS DataBase Reference | 4412-96-8(CAS DataBase Reference) |
| FDA UNII | 5JP68392HM |
| NIST Chemistry Reference | 3-Methyl-2-furoic acid(4412-96-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| 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 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704 |
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3-Methyl-2-furoic acid price More Price(58)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 667994 | 3-Methyl-2-furoic acid 97% | 4412-96-8 | 1g | $97.6 | 2026-04-30 | Buy |
| Sigma-Aldrich | 667994 | 3-Methyl-2-furoic acid 97% | 4412-96-8 | 5g | $286 | 2023-06-20 | Buy |
| TCI Chemical | M2376 | 3-Methyl-2-furancarboxylic Acid >98.0%(GC)(T) | 4412-96-8 | 1g | $42 | 2026-04-30 | Buy |
| TCI Chemical | M2376 | 3-Methyl-2-furancarboxylic Acid >98.0%(GC)(T) | 4412-96-8 | 5g | $126 | 2026-04-30 | Buy |
| Biosynth | EAA41296 | 3-Methyl-2-furoic acid | 4412-96-8 | 10g | $354 | 2026-06-04 | Buy |
3-Methyl-2-furoic acid Chemical Properties, Uses, Production
Chemical Properties
white to beige powder
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.
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.
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
1of3
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Heze Chuangfa Biotechnology Co., Ltd. | 15864743015 15864743015 | 1187939516@qq.com | China | 145 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| PharmaBlock Sciences (Nanjing),Inc. | 025-86918202 4000255188 | sales@pharmablock.com | China | 5000 | 55 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
View Latest Price from 3-Methyl-2-furoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-08-25 | 3-Methyl-2-furoic acid
4412-96-8
|
$2.20-8.80 | 1kg | 99% | 100kg | ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD | |
 |
2020-01-10 | 3-Methyl-2-furoic acid
4412-96-8
|
$1.00 | 1KG | 98% | 200KG | Career Henan Chemical Co |
-
- 3-Methyl-2-furoic acid
4412-96-8
- $2.20-8.80
- 99%
- ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
-
- 3-Methyl-2-furoic acid
4412-96-8
- $1.00
- 98%
- Career Henan Chemical Co
