2-METHOXYBENZENESULFONYL CHLORIDE
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2-METHOXYBENZENESULFONYL CHLORIDE
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CAS No:
10130-87-7
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Formula:
C7H7ClO3S
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Chemical Name:
2-METHOXYBENZENESULFONYL CHLORIDE
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Synonyms:
AKOS BB-9465;2-METHOXYBENZENESULFONYL CHLORIDE;5-Methoxybenzenesulfonyl chloride;2-Methoxybenzene-1-sulfonyl chloride;2-(Methyloxy)benzenesulfonyl chloride;2-Methoxyphenylsulfonyl chloride;o-Methoxybenzenesulfonyl chloride
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CAS No:
Safety Information
Ⅲ
8
3261
34-43
26-36/37/39-36/37
Xi
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory.
2-METHOXYBENZENESULFONYL CHLORIDE Use and Manufacturing
General procedure: To a stirred solution of the corresponding thiol 1 (1 eq) [1]Step A: 2-methoxy-//-(1-methyl-1-phenyl-ethyl)benzenesulfonamide To a stirred suspension of cumylamine (1.22 ml8.48 mmol; 2.4 eq.) and TEA (591 muIota4.24 mmol; 1.2 eq.) in DCM (10 ml_) at 0C was slowly added 2-methoxybenzene sulfonyl chloride (730.0 mg; 3.53 mmol; 1 eq.) in solution into DCM (3.00 ml.) (over 2 minutes).The mixture was stirred at rt for 3h. The reaction mixture was diluted with DCM and acidified by HCI 1 N. The organic layer was dried over MgS04 and concentrated under vacuum to give 2-methoxy-/V-(1-methyl-1-phenyl-ethyl)benzenesulfonamide (874.0 mg; 81 %) as a white powder. H NMR (DMSO-d6, 300 MHz): delta 7.49 (m, 3H) ; 7.32 (m, 2H) ; 7.14 (m, 4H) ; 6.95 (t, J = 7.8 Hz, 1 H) ; 3.87 (s, 3H) ; 1.43 (s, 6H).
Computed Properties
Molecular Weight:206.65
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:205.9804429
Monoisotopic Mass:205.9804429
Topological Polar Surface Area:51.8
Heavy Atom Count:12
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHOXYBENZENESULFONYL CHLORIDE
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