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6299-85-0

6299-85-0 Structure

6299-85-0 Structure
IdentificationBack Directory
[Name]

2-(3-CHLOROPHENYL)MALONDIALDEHYDE
[CAS]

6299-85-0
[Synonyms]

6-c
NSC45044
2-(3-CHLOROPHENYL)MALONDIALDEHYDE
2,6-dichloropyrimidine-4-carboxylate
2,4-dichloropyrimidine-6-carboxylate
2,4-Dichloro-6-(methoxycarbonyl)pyrimidine
Methyl 2,6-dichloropyrimidine-4-carboxylate
Methyl 2,4-dichloropyrimidine-6-carboxylate
Methyl2,4-dichloropyrimidine-6-carboxylate99%
Tert-butyl n-(2-(4-nitrophenyl)ethyl)carbamate
Methyl 2,4-dichloropyrimidine-6-carboxylate 99%
2,6-DICHLORO-PYRIMIDINE-4-CARBOXYLIC ACID ETHYL ESTER
2,6-Dichloro-pyrimidine-4-carboxylic acid methyl ester
4-PyriMidinecarboxylicacid, 2,6-dichloro-, Methyl ester
4-Methyl-2-(3,4-dichlorophenyl)thiazole-5-carboxylicacid
[EINECS(EC#)]

674-238-4
[Molecular Formula]

C6H4Cl2N2O2
[MDL Number]

MFCD02261887
[MOL File]

6299-85-0.mol
[Molecular Weight]

207.02
Chemical PropertiesBack Directory
[Melting point ]

54-56
[Boiling point ]

306 ºC
[density ]

1.503
[Fp ]

139 ºC
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

White to off white to faint cream flakes
[pka]

-5.83±0.30(Predicted)
[Appearance]

Off-white to yellow Solid
[InChI]

InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
[InChIKey]

DQNQNLWKAGZNIT-UHFFFAOYSA-N
[SMILES]

C1(Cl)=NC(Cl)=CC(C(OC)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol-->Diethyl ether-->N,N-Dimethylformamide-->Thionyl chloride-->Phosphorus oxitrichloride-->Sodium sulfate-->Benzene-->Activated carbon-->Heptane-->Orotic acid
[Preparation Products]

AZ20-->4-Pyrimidinecarboxylic acid, 2-chloro-6-(methylthio)-, methyl ester
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-CHLOROPHENYL)MALONDIALDEHYDE(6299-85-0)1HNMR
2-(3-CHLOROPHENYL)MALONDIALDEHYDE(6299-85-0)FT-IR
Hazard InformationBack Directory
[Synthesis]

To a stirred suspension of orotic acid (20.00 g, 128.140 mmol) in POCI3(75 ml) was added DMF (catalytic amount, -0.5 ml) at ambient temperature, and the resulting reaction mixture was refluxed for 3 h. Excess of POC was removed by vacuum distillation after 3h of reflux. The obtained slurry was poured slowly into a 5 per cent mixture of methanol in chloroform (200 ml) at 0°C and stirred for 30 min. The organic layer obtained was washed with a saturated solution of NaHCC>3 (3 x 200 ml). The combined organic phase was dried over Na2S04, filtered and concentrated under reduced pressure, yielding Methyl 2,4-dichloropyrimidine-6-carboxylate (19.00 g, 91 .800 mmol).
[References]

[1] Patent: WO2018/167276, 2018, A1. Location in patent: Paragraph 00131; 00132; 00133
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