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136590-83-5

136590-83-5 Structure

136590-83-5 Structure
IdentificationBack Directory
[Name]

3,5-DICHLORO-4-FORMYL PYRIDINE
[CAS]

136590-83-5
[Synonyms]

TIMTEC-BB SBB003785
3,5-DICHLORO-4-FORMYL PYRIDINE
3,5-DICHLOROISONICOTINALDEHYDE
3,5-dichloropyridine-4-carbaldehyde
,5-Dichloropyridine-4-carboxaldehyde
3,5-DICHLORO-4-PYRIDINECARBOXALDEHYDE
3,5-Dichloropyridine-4-carboxaldehyde
3,5-DICHLOROPYRIDINE-4-CARBOXYALDEHYDE
4-PYRIDINECARBOXALDEHYDE, 3,5-DICHLORO-
3,5-Dichloro-4-pyridinecarboxaldehyde 97%
4-PYRIDINECARBOXALDEHYDE, 3,5-DICHLORO- (9CI)
3,5-DICHLORO-4-FORMYL PYRIDINE ISO 9001:2015 REACH
3,5-Dichloropyridine-4-carboxaldehyde, 3,5-Dichloro-4-formylpyridine
[Molecular Formula]

C6H3Cl2NO
[MDL Number]

MFCD04039921
[MOL File]

136590-83-5.mol
[Molecular Weight]

176
Chemical PropertiesBack Directory
[Melting point ]

75-79 °C(lit.)
[Boiling point ]

242.4±35.0 °C(Predicted)
[density ]

1.488±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

-0.42±0.10(Predicted)
[color ]

White to Brown
[InChI]

1S/C6H3Cl2NO/c7-5-1-9-2-6(8)4(5)3-10/h1-3H
[InChIKey]

RBFNWOINNIOZKR-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1c(Cl)cncc1Cl
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->N,N-Dimethylformamide-->n-Butyllithium-->3,5-Dichloropyridine-->Diisopropylamine-->N-Methylacetamide
[Preparation Products]

3,5-DICHLORO-4-PYRIDINECARBONITRILE-->METHYL 4-CHLORO-7H-CYCLOPENTA[C]PYRIDINE-6-CARBOXYLATE
Hazard InformationBack Directory
[Uses]

3,5-Dichloroisonicotinaldehyde is an aldehyde compound that can be synthesized with heteroarylsulfonamides to form heteroarylsulfonylcarboxamides[1].
[Synthesis]

3,5-Dichloropyridine

2457-47-8

3,5-DICHLORO-4-FORMYL PYRIDINE

136590-83-5

Diisopropylamine (33.6 mL, 0.24 mol) was dissolved in tetrahydrofuran (400 mL) under argon protection and cooled to -65 °C. The solution of 1.6 M n-butyllithium in hexane (156 mL) was added slowly. A hexane solution (156 mL) of 1.6 M n-butyllithium was slowly added. after 20 min, a solution of 3,5-dichloropyridine (29.6 g, 0.20 mol) in tetrahydrofuran (150 mL) was added dropwise, and stirring was continued for 30 min. Subsequently, a tetrahydrofuran (50 mL) solution of dimethylformamide (23.2 mL, 0.30 mol) was added, kept at a constant temperature and stirred for 1 hour. The reaction mixture was poured into 5% aqueous ammonium chloride solution (1,000 mL) and extracted with ethyl acetate. The organic layer was washed sequentially with water and saturated brine, dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography to afford 3,5-dichloropyridine-4-carbaldehyde (27.2 g, 77% yield).1H-NMR (CDCl3) δ: 8.63 (2H, s), 10.44 (1H, s).

[References]

[1] Patent: US5935977, 1999, A
[2] Patent: EP1270577, 2003, A1
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DICHLORO-4-FORMYL PYRIDINE(136590-83-5)1HNMR
3,5-DICHLORO-4-FORMYL PYRIDINE(136590-83-5)IR
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