| Identification | Back Directory | [Name]
2-CHLORO-3-METHYL-QUINOXALINE | [CAS]
32601-86-8 | [Synonyms]
NSC 38593
AKOS BBS-00004537
TIMTEC-BB SBB010632
2-CHLORO-3-METHYL-QUINOXALINE
Quinoxaline, 2-chloro-3-methyl-
2-Chloro-3-methylquinoxaline ,97% | [EINECS(EC#)]
676-130-2 | [Molecular Formula]
C9H7ClN2 | [MDL Number]
MFCD00023913 | [MOL File]
32601-86-8.mol | [Molecular Weight]
178.62 |
| Chemical Properties | Back Directory | [Melting point ]
91-93℃ | [Boiling point ]
259.9±35.0 °C(Predicted) | [density ]
1.292±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
powder | [pka]
-1.14±0.48(Predicted) | [Appearance]
Orange to red Solid | [InChI]
1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3 | [InChIKey]
PXDLUYLWPJMGJA-UHFFFAOYSA-N | [SMILES]
Cc1nc2ccccc2nc1Cl |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
25-41 | [Safety Statements ]
26-39-45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
2 | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
Pink solid | [Synthesis]
GENERAL PROCEDURE: 3-methylquinoxalin-2-ol (28.1 mmol, 5.0 g) was dissolved in phosphorous trichloride (POCl3, 25 mL) at 0°C and the resulting solution was allowed to reflux at 120°C for 5 hours. Upon completion of the reaction, the reaction was quenched with a cooled ammonia solution and extracted with ethyl acetate (EtOAc, 2 x 15 mL). The organic phase was separated and washed with saturated sodium chloride solution, dried over anhydrous magnesium sulfate (MgSO4), filtered, and concentrated in vacuum to give the crude product. The crude product was purified by silica gel fast column chromatography (eluent: petroleum ether/ethyl acetate = 10:1, v/v) to afford 5.0 g 3-methyl-2-chloro-quinoxaline as an off-white solid in 90% yield. Melting point: 86.0-87.0 °C; ESI-MS m/z: 179.4 [M + H]+. | [References]
[1] European Journal of Medicinal Chemistry, 2016, vol. 124, p. 311 - 325
[2] European Journal of Medicinal Chemistry, 2009, vol. 44, # 3, p. 1135 - 1143
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 7, p. 565 - 573
[4] E-Journal of Chemistry, 2011, vol. 8, # 2, p. 635 - 642
[5] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 5, p. 1139 - 1143 |
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