ChemicalBook--->CAS DataBase List--->10599-69-6

10599-69-6

10599-69-6 Structure

10599-69-6 Structure
IdentificationBack Directory
[Name]

2-METHYL-5-PROPIONYL-FURAN
[CAS]

10599-69-6
[Synonyms]

5-Methyl-2-propionylfuran
5-Methyl-5-propionylfuran
2-METHYL-5-PROPIONYL-FURAN
Furan, 2-methyl-5-propionyl
2-Methyl-5-propionyl-furan 95%
2-Methyl-5-propionyl-furan, 95 %
1-(5-Methyl-2-furyl)-1-propanone
1-(5-methyl-2-furyl)propan-1-one
2-Methyl-5-propionylfuran, GC 95%
1-(5-Methyl-2-furanyl)-1-propanone
1-Propanone, 1-(5-methyl-2-furyl)-
1-(5-Methylfuran-2-yl)propan-1-one
1-(5-Methyl-2-furanyl)propane-1-one
2-Methyl-5-propionyl-furan, 95% 10GR
1-Propanone, 1-(5-methyl-2-furanyl)-
[EINECS(EC#)]

234-215-8
[Molecular Formula]

C8H10O2
[MDL Number]

MFCD00053142
[MOL File]

10599-69-6.mol
[Molecular Weight]

138.16
Chemical PropertiesBack Directory
[Appearance]

Clear yellow liquid
[Boiling point ]

72°C/5mmHg(lit.)
[density ]

1.0742 (rough estimate)
[refractive index ]

1.5037-1.5057
[storage temp. ]

Refrigerator, under inert atmosphere
[solubility ]

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

Liquid
[color ]

Clear yellow
[λmax]

282nm(EtOH)(lit.)
[InChI]

InChI=1S/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
[InChIKey]

BXLPZYAVKVFXEO-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(C)O1)(=O)CC
[LogP]

0.865 (est)
Hazard InformationBack Directory
[Chemical Properties]

Clear yellow liquid
[Uses]

2-Methyl-5-propionyl-furan serves as a heteroaryl ketone substrate in palladacycle-catalyzed C-methylation, giving the corresponding C-methylated product in 65% yield[1]. In Mn-catalyzed asymmetric transfer hydrogenation, 2-methyl-5-propionyl furan is readily reduced to the corresponding alcohol in high yield[2].
[Definition]

ChEBI: 2-methyl-5-propionylfuran is a member of the class of furans that is furan substituted by propionyl and methyl groups at positions 2 and 5, respectively. It is a flavouring agent found in sesame seed oil and coffee. It has a role as a flavouring agent, a plant metabolite and a human metabolite. It is an aromatic ketone and a member of furans.
[References]

[1] Mamidala, R., Biswal, P., Subramani, M. S., Samser, S., & Venkatasubbaiah, K. (2019). Palladacycle-Phosphine Catalyzed Methylation of Amines and Ketones Using Methanol. The Journal of Organic Chemistry, 84(16), 10472–10480. https://doi.org/10.1021/acs.joc.9b00983
[2] Wang, Z., Zhang, S., Ma, Z., Li, L., Yan, X., Cao, Q., Su, Y., Ma, N., & Wang, Z. (2024). Cycloheptyl-fused-PNN-manganese catalyzed asymmetric transfer hydrogenation of ketones. Molecular Catalysis, 564, 114274. https://doi.org/10.1016/j.mcat.2024.114274
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P302+P352-P305+P351+P338
[Safety Statements ]

24/25
[REACH Registrations]

Inactive
[HS Code ]

29321900
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-5-PROPIONYL-FURAN(10599-69-6)1HNMR
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