ChemicalBook--->CAS DataBase List--->149849-94-5

149849-94-5

149849-94-5 Structure

149849-94-5 Structure
IdentificationBack Directory
[Name]

methyl 2-chloropyrimidine-4-carboxylate
[CAS]

149849-94-5
[Synonyms]

oropyrimidine-4-carboxyL
4-PyriMidinecarboxylic ac...
2-Chloro-4-(methoxycarbonyl)pyrimidine
methyl 2-chloropyrimidine-4-carboxylate
2-Chloro-pyrimidin-4-carboxylic acid methyl ester
2-chloro-4-Pyrimidinecarboxylic acid methyl ester
2-Chloro-pyriMidine-4-carboxylic acid Methyl ester
4-PyriMidinecarboxylic acid, 2-chloro-, Methyl ester
2-Chloro-4-(methoxycarbonyl)pyrimidine, 2-Chloro-4-(methoxycarbonyl)-1,3-diazine
[EINECS(EC#)]

687-723-0
[Molecular Formula]

C6H5ClN2O2
[MDL Number]

MFCD11841080
[MOL File]

149849-94-5.mol
[Molecular Weight]

172.57
Chemical PropertiesBack Directory
[Boiling point ]

304.3±15.0 °C(Predicted)
[density ]

1.372±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

-3.78±0.20(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

InChI=1S/C6H5ClN2O2/c1-11-5(10)4-2-3-8-6(7)9-4/h2-3H,1H3
[InChIKey]

GGTNGWOGJHJQCL-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC=CC(C(OC)=O)=N1
Questions And AnswerBack Directory
[Uses]

Methyl 2-chloropyrimidine-4-carboxylate is an organic ester, which can be used as an intermediate in pharmaceutical synthesis for experimental research and pharmaceutical synthesis.
[Synthesis]

Synthesis of methyl 2-chloropyrimidine-4-carboxylate: 2-chloropyrimidine-4-carboxylic acid (4.76 g, 30 mmol) was dissolved in dichloromethane (30 mL) and dimethylformamide (0.3 mL), to which was added Slowly add oxalyl chloride (5.72g, 45mmol) dropwise, stir at room temperature for 2 hours, Chemicalbook, after concentrating to an appropriate volume, add dropwise to anhydrous methanol (50mL) placed under ice bath conditions, after the dropwise addition, the reaction is transferred to The reaction was carried out at room temperature for 2 hours, and concentrated under reduced pressure to obtain (5.17 g, yield 100%).
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

36/37/39
[WGK Germany ]

3
[HS Code ]

29335990
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

methyl 2-chloropyrimidine-4-carboxylate(149849-94-5)1HNMR
Hazard InformationBack Directory
[References]

[1] Patent: US2007/225271, 2007, A1. Location in patent: Page/Page column 33
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