2-CHLORO-3-METHYL-QUINOXALINE
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2-CHLORO-3-METHYL-QUINOXALINE
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CAS No:
32601-86-8
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Formula:
C9H7ClN2
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Chemical Name:
2-CHLORO-3-METHYL-QUINOXALINE
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Synonyms:
TIMTEC-BB SBB010632;2-CHLORO-3-METHYL-QUINOXALINE;AKOS BBS-00004537;Quinoxaline, 2-chloro-3-methyl-;2-Chloro-3-methylquinoxaline ,97%;NSC 38593
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CAS No:
Safety Information
IRRITANT
UN 2811 6.1 / PGIII
2
25-41
26-39-45
Xi,T
P280-P301 + P310-P305 + P351 + P338
H301-H318
|Danger|H301 (84.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-CHLORO-3-METHYL-QUINOXALINE Use and Manufacturing
General procedure: Compound 1a (28.1mmol, 5.0g) was dissolved in POClINTERMEDIATE: (3-Methyl-quinoxalin-2-yl)-hydrazine (Ha). 2-Oxo-propanoic acid methyl ester (9.0 mL) was added to a solution of 1, 2-benzenediamine (10.8 g) in methanol (80 mL). The resulting suspension was refluxed for 10 min before it was cooled to ambient temperature. The precipitated solid was filtered off and dried to afford 3-methyl-lH-quinoxalin-2-one (15.3 g) sufficiently pure for the next step. 1.60 g of this material was dissolved in phosphoryl chloride (10 mL) and heated under MW conditions at 130 C for 0.5h. The volatiles were removed in vacuo, and the residue was treated with ice/water to quench excess phosphoryl chloride. Diethyl ether and brine were added and the organic layer was dried over Na2SO i, filtered, and concentrated in vacuo to afford 2-chloro-3- methyl-quinoxaline (1.7 g) sufficiently pure for the next step. This material was dissolved in ethanol (150 mL) and hydrazine hydrate (2.43 mL) was added. The mixture was refluxed for 1.5h. The volatiles were removed in vacuo, and the residual solid was washed with water, filtered off and dried Ila (1.2 g) sufficiently pure for the next step.
Computed Properties
Molecular Weight:178.62
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Exact Mass:178.0297759
Monoisotopic Mass:178.0297759
Topological Polar Surface Area:25.8
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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