ChemicalBook--->CAS DataBase List--->4412-96-8

4412-96-8

4412-96-8 Structure

4412-96-8 Structure
IdentificationMore
[Name]

3-Methyl-2-furoic acid
[CAS]

4412-96-8
[Synonyms]

3-METHYL-2-FUROIC ACID
3-METHYLFURAN-2-CARBOXYLIC ACID
TIMTEC-BB SBB004257
2-Furancarboxylic acid, 3-methyl-
3-METHYL-2-FUROIC ACID, 98+%
Elsholtzic acid
[EINECS(EC#)]

224-571-2
[Molecular Formula]

C6H6O3
[MDL Number]

MFCD00014111
[Molecular Weight]

126.11
[MOL File]

4412-96-8.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige powder
[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)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

29321900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Methanol-->Diethyl ether-->Acetic acid-->Sodium-->Magnesium sulfate-->Sodium chloride-->Methyl chloroacetate-->Acetylacetaldehyde dimethyl acetal
[Preparation Products]

5-hydroxy-3-Methyl-2(5H)-furanone-->5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE OXIME-->3-Methylfuran-->3,5-DIMETHYL-FURAN-2-CARBOXYLIC ACID-->3-METHYLFURAN-2-CARBONYL CHLORIDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methyl-2-furoic acid(4412-96-8).msds
Hazard InformationBack Directory
[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.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methyl-2-furoic acid, 98%(4412-96-8)
[Alfa Aesar]

3-Methyl-2-furoic acid, 98+%(4412-96-8)
[Sigma Aldrich]

4412-96-8(sigmaaldrich)
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