| Identification | More | [Name]
6-Chloropyridazine-3-carboxylic acid | [CAS]
5096-73-1 | [Synonyms]
6-CHLOROPYRIDAZINE-3-CARBOXYLIC ACID
6-Chloropyridazine-3-carboxylic acid 97%
6-CHLORO-3-PYRIDAZINE-CARBOXYLIC ACID
SODIUM 6-CHLOROPYRIDAZINE-3-CARBOXYLATE
3-chloropyridazine-6-carboxylic acid | [Molecular Formula]
C5H3ClN2O2 | [MDL Number]
MFCD00160464 | [Molecular Weight]
158.54 | [MOL File]
5096-73-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
146 °C | [Boiling point ]
429.0±25.0 °C(Predicted) | [density ]
1.579±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Crystalline Powder | [pka]
2.68±0.10(Predicted) | [color ]
White to cream | [InChI]
InChI=1S/C5H3ClN2O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H,9,10) | [InChIKey]
HHGZQZULOHYEOH-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)=NN=C(Cl)C=C1 | [CAS DataBase Reference]
5096-73-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
6-Chloropyridazine-3-carboxylic acid is Brown green powder
| [Uses]
6-Chloropyridazine-3-carboxylic acid is a pyradazine derivative used in the preparation of stearoyl-CoA desaturase inhibitors.
| [Synthesis]
General procedure for the synthesis of 6-chloropyridazine-3-carboxylic acid from ethyl 6-chloropyridazine-3-carboxylate:
(Step-1) To a solution of ethyl 6-chloropyridazine-3-carboxylate (1.00 g, 5.36 mmol) in tetrahydrofuran (THF, 10 mL) was added a solution of lithium hydroxide (LiOH, 0.655 g, 26.8 mmol, 5 equiv) in water (10 mL). The reaction mixture was stirred at room temperature for 45 minutes. Upon completion of the reaction, the mixture was poured into 2 M hydrochloric acid and extracted with dichloromethane (DCM). The organic phases were combined and concentrated under reduced pressure to give 6-chloropyridazine-3-carboxylic acid as a white solid (770 mg, 91% yield).LC-MS (positive ESI): m/z 159/161 [M+H]+. | [References]
[1] Patent: WO2015/67701, 2015, A1. Location in patent: Page/Page column 44 |
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