2-Chloro-6-methoxybenzothiazole
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2-Chloro-6-methoxybenzothiazole
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CAS No:
2605-14-3
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Formula:
C8H6ClNOS
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Chemical Name:
2-Chloro-6-methoxybenzothiazole
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Synonyms:
Benzothiazole,2-chloro-6-methoxy-;2-Chloro-6-methoxybenzothiazole;6-Methoxy-2-chlorobenzothiazole;NSC 118120;2-Chloro-6-methoxybenzo[d]thiazole;2-Chloro-6-methoxy-1,3-benzothiazole;2-Chloro-6-(methyloxy)-1,3-benzothiazole
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CAS No:
2-Chloro-6-methoxybenzothiazole Basic Attributes
199.652
199.66
923-874-3
118120
DTXSID70297788
2934999090
Safety Information
NONH for all modes of transport
3
R22;R36
S22-S26
Xn: Harmful;
P305 + P351 + P338
H302-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-6-methoxybenzothiazole Use and Manufacturing
6-methoxybenzothiazol-2-amine (30 g, 0.17 mol) was slowly added in portions to a mixed solution of t-butylnitrite (27.8 g, 0.27 mol) and cuprous chloride (19.8 g 0.20 mol) in acetonitrile (300 mL). After completion of the dropwiseaddition, the reaction solution was continued stirring for 2 hours at 25 °C. The reaction solution was poured into hydrochloricacid (6 mol/L, 600 ml) and stirred for 10 minutes, filtered. The filtrate was extracted with ethyl acetate (50 ml x3). The organic phases were combined, washed with saturated NaCl solution, dried over anhydrous sodium sulfate andfiltered, and the filtrate was concentrated to give a crude product which was then purified by column chromatography(petroleum ether/ethyl acetate = 40:1-10:1) to give a yellow solid compound 131A (13.8 g, the yield was 41.4percent).1H NMR (CDCl3, 400 MHz) 7.82 (d, J=9.00 Hz, 1H), 7.23 (d, J=2.35 Hz, 1H), 7.07 (dd, J=2.35, 9.00 Hz, 1H), 3.87 (s, 4H)
Computed Properties
Molecular Weight:199.66
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:198.9858627
Monoisotopic Mass:198.9858627
Topological Polar Surface Area:50.4
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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