| Identification | More | [Name]
4,6-Dichloronicotinic acid | [CAS]
73027-79-9 | [Synonyms]
2,4-DICHLORO-5-CARBOXYLPYRIDINE
2,4-DICHLORO-5-PYRIDINE-5-CARBOXYLIC ACID
2,4-DICHLOROPYRIDINE-5-CARBOXYLIC ACID
4,6-DICHLORONICOTINIC ACID
4,6-DICHLOROPYRIDINE-3-CARBOXYLIC ACID
2,4-Dichloro-5-carboxypyridine
2,4-Dichloro-5-pyridinecarboxylic acid
2,4-Dichloro-5-carboxylpyridine ,97% | [EINECS(EC#)]
695-891-1 | [Molecular Formula]
C6H3Cl2NO2 | [MDL Number]
MFCD00234146 | [Molecular Weight]
192 | [MOL File]
73027-79-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
158-160 | [Boiling point ]
337.0±37.0 °C(Predicted) | [density ]
1.612±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
1.87±0.25(Predicted) | [color ]
White to Light yellow | [Water Solubility ]
Slightly soluble in water. | [Detection Methods]
HPLC | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)9-2-3(4)6(10)11/h1-2H,(H,10,11) | [InChIKey]
ILMIEWNDXAKVNI-UHFFFAOYSA-N | [SMILES]
C1=NC(Cl)=CC(Cl)=C1C(O)=O | [CAS DataBase Reference]
73027-79-9(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
4,6-Dichloronicotinic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields. | [Synthesis]
General procedure for the synthesis of 4,6-dichloronicotinic acid from ethyl 4,6-dichloronicotinate: to a stirred solution of ethyl 4,6-dichloronicotinate (22) (25.95 g, 118 mmol) dissolved in 4:1:1 THF:MeOH:water (600 mL) was added sodium hydroxide solution (40 mL, 6.25 M). After 30 min of reaction, the reaction mixture was acidified to pH 2 with concentrated hydrochloric acid and subsequently diluted with 1:1 EtOAc:Et2O and washed sequentially with water and brine. The organic layer was dried over anhydrous sodium sulfate and concentrated. The resulting off-white solid was purified by concentrating twice from toluene to give the final target product 4,6-dichloronicotinic acid (23) as a white solid (21.73 g, 96% yield). | [References]
[1] Patent: US2005/49419, 2005, A1. Location in patent: Page/Page column 24
[2] Patent: US2005/54701, 2005, A1
[3] Tetrahedron Letters, 2011, vol. 52, # 4, p. 512 - 514
[4] Patent: WO2014/52365, 2014, A1. Location in patent: Page/Page column 229-230
[5] Patent: US2015/191464, 2015, A1. Location in patent: Paragraph 0611 |
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