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ChemicalBook--->CAS DataBase List--->112110-16-4

112110-16-4

112110-16-4 Structure

112110-16-4 Structure
IdentificationBack Directory
[Name]

5-Methylpyridine-2,3-dicarboxylic acid dimethyl ester
[CAS]

112110-16-4
[Synonyms]

Dimethyl 5-methylpyridine-2,3-dicarboxylate
Dimethyl 5-methyl-2,3-pyridinedicarboxylate
5-Methylpyridine-2,3-dicarboxylic acid dimethyl ester
5-Methyl-2,3-Pyridinedicarboxylic Acid Dimethyl Ester
2,3-Pyridinedicarboxylic acid, 5-methyl-, dimethyl ester
2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
[EINECS(EC#)]

601-161-5
[Molecular Formula]

C10H11NO4
[MDL Number]

MFCD05662424
[MOL File]

112110-16-4.mol
[Molecular Weight]

209.2
Chemical PropertiesBack Directory
[Melting point ]

45-50°C
[Boiling point ]

292.2±35.0 °C(Predicted)
[density ]

1.197
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

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

Solid
[pka]

-0.54±0.10(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
[InChIKey]

MKOJTLPEGLTEFM-UHFFFAOYSA-N
[SMILES]

C1(C(OC)=O)=NC=C(C)C=C1C(OC)=O
[EPA Substance Registry System]

2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester (112110-16-4)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Chemical Properties]

White or of- white powder or crystlline power,odorless.
[Uses]

5-methylpyridine-2,3-dicarboxylic acid dimethyl ester (MPE) could used as the raw material to synthesize 5-bromomethylpyridine-2,3-dicarboxylic acid methyl ester via a bromination reaction with N-bromosuccinimide (NBS) as the brominating reagent and azobisisobutyronitrile (AIBN) as an initiator[1].
[References]

[1] Ma X, et al. Mechanism and Kinetics of Bromination of 5-Methylpyridine-2,3-dicarboxylic Acid Dimethyl Ester. Russian Journal of Physical Chemistry A, 2023; 97: 73–79.
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