4-(2-THIAZOLYL)PHENOL
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4-(2-THIAZOLYL)PHENOL
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CAS No:
81015-49-8
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Formula:
C9H7NOS
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Chemical Name:
4-(2-THIAZOLYL)PHENOL
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Synonyms:
4-(2-THIAZOLYL)PHENOL;4-(2-Thiazolyl)phenol95%;4-(2-THIAZOLYL)PHENOL 95%;4-(1,3-Thiazol-2-yl)phenol;2-(4-chlorophenyl)thiazole
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(2-THIAZOLYL)PHENOL Use and Manufacturing
Step 2; 4-Thiazol-2-yl-phenol; To a solution of the product of step 1 (1.0 g, 5.23 mmol) in methylene chloride (25 ml) was slowly added boron tribromide (2.00 ml, 15.7 mmol) at -78° C., and stirred at -78° C. for 1 h. After it was stirred at room temperature for 16 h, the reaction mixture was poured into ice-water. The product was collected on a filter, washed with ether to yield the title product (0.84 g, 84percent); To a solution of the product from step 2 (1.0 g, 5.23 mmol) in methylene chloride (25 ml) was slowly added boron tribromide (2.00 ml, 15.7 mmol) at -78° C., and stirred at -78° C. for 1 h. Step 2: To a mixture of 4-hydroxybenzothioamide (30.64 g, 0.20 mol) and 2-bromo-l, l-dimethoxyethane (31.00 g, 0.20 mol) in EtOH (600 mL) was added 4-methylbenzenesulfonic acid (34.44 g, 0.20 mol) with stirring at rt. The reaction mixture was heated at 90 °C for 24 h, then cooled to rt and concentrated in vacuo. The mixture was diluted with HTo a mixture of 4-hydroxybenzothioamide (30.64 g, 0.20 mol) and 2-bromo-1, 1-dimethoxyethane (31.00 g, 0.20 mol) in EtOH (600 mL) was added 4-methylbenzenesulfonic acid (34.44 g, 0.20 mol) with stirring at rt. 4-hydroxythiobenzamide (30.64 g, 0.20 mol) and 2-bromo-1, 1-dimethoxyethane (31.00 g, 0.20 mol) were stirred in ethanol (600 mL) at room temperature.P-toluenesulfonic acid (34.44 g, 0.20 mol) was added to the reaction solution.Heat to 90°C for 24 hours.After the reaction was completed, it was cooled to room temperature, the solvent was distilled off under reduced pressure, water (200 mL) was added, and the pH was adjusted to 8 with saturated sodium bicarbonate solution.Dichloromethane (200 mL x 3) was extracted and the organic phases were combined and concentrated by evaporation under reduced pressure to give a yellow solid (21.3 g, 60percent).
Computed Properties
Molecular Weight:177.22
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:61.4
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes