| Identification | More | [Name]
4-CHLORO-2-METHYLQUINOLINE | [CAS]
4295-06-1 | [Synonyms]
4-CHLORO-2-METHYLQUINOLINE
4-CHLOROQUINALDINE
AKOS BBS-00000956
TIMTEC-BB SBB005362
Quinaldine, 4-chloro-
Quinoline, 4-chloro-2-methyl-
2-Methyl-4-chloroquinoline | [EINECS(EC#)]
224-300-8 | [Molecular Formula]
C10H8ClN | [MDL Number]
MFCD00006757 | [Molecular Weight]
177.63 | [MOL File]
4295-06-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
39 °C | [Boiling point ]
269-270 °C (lit.) | [density ]
0.881 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.622(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder to lump to clear liquid | [pka]
4.40±0.50(Predicted) | [color ]
White or Colorless to Yellow | [Water Solubility ]
Slightly soluble in water. | [BRN ]
3522 | [InChI]
InChI=1S/C10H8ClN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3 | [InChIKey]
HQAIROMRVBVWSK-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC=CC=2)C(Cl)=CC=1C | [CAS DataBase Reference]
4295-06-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2933499090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Melting point 42-43℃, boiling point 269-270℃, 83℃ (93Pa), relative density 0.881, refractive index 1.6224. Slightly soluble in water. | [Uses]
4-Chloroquinaldine is used in the preparation of 4-phenyl-hydrazinoquinaldine | [Synthesis]
General procedure: 4-hydroxy-2-methylquinoline (5a-c) was added to POCl3 and the reaction mixture was heated to reflux for 12 hours. Upon completion of the reaction, the excess POCl3 was removed by distillation under reduced pressure. the residue was washed once and twice each with CHCl3 and toluene sequentially. The solid obtained was dissolved in CH2Cl2 and triethylamine was added dropwise until the pH of the aqueous wash solution was greater than 10. Finally, the reaction mixture was filtered to afford the target products 2-methyl-4-chloroquinoline (6a-c). | [References]
[1] European Journal of Medicinal Chemistry, 2017, vol. 138, p. 1114 - 1125
[2] Patent: US2008/171765, 2008, A1. Location in patent: Page/Page column 19-20
[3] Australian Journal of Chemistry, 2003, vol. 56, # 1, p. 39 - 44
[4] Letters in Drug Design and Discovery, 2018, vol. 15, # 9, p. 937 - 944
[5] Patent: WO2018/178277, 2018, A1. Location in patent: Paragraph 00114 |
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