5-(Trifluoromethyl)-2(3H)-benzoxazolethione synthesis
- Product Name:5-(Trifluoromethyl)-2(3H)-benzoxazolethione
- CAS Number:13451-80-4
- Molecular formula:C8H4F3NOS
- Molecular Weight:219.18
75-15-0
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454-81-9
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$22.00/250mg
13451-80-4
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$28.00/100mg
Yield:13451-80-4 85%
Reaction Conditions:
with potassium hydroxide in ethanol at 90;
Steps:
5-(Tritluoromethyl)benzo[d]oxazole-2-thiol
To a solution of KOH (4.75g, 84.8mmol) in EtOH (lOOmL) were added 2-amino-4-(trifluoromethyl)phenol (5g, 28.25mmol) and CS2 (5.llmL, 84.8mmol) at rt. The reaction mixture was refluxed overnight. The TLC showed the reaction to be complete. The solvent was removed under reduced pressure to give crude residue. The residue was acidified with iN HCI (100 mL) and extracted with EtOAc (3xlOOmL). The organic layer was washed with brine (lOOmL), dried (Na2SO4), filtered and concentrated under reduced pressure to afford 5- (trifluoromethyl)benzo[d]oxazole-2-thiol as an off white solid. Yield: 5.2 g (85%); 1H NMR (400 MHz, DMSO-d6): 14.25 (bs, 1H), 7.72 (d, J = 8.4 Hz, 1H), 7.64 (d, J = 8.4 Hz, 1 H), 7.51 (5, 1 H); MS (ESI-) for CHNOS m/z 217.94 [M-H].
References:
WO2018/37223,2018,A1 Location in patent:Page/Page column 67; 68
454-81-9
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$22.00/250mg
140-89-6
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$12.00/5g
13451-80-4
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$28.00/100mg
400-99-7
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$19.00/5g
13451-80-4
14 suppliers
$28.00/100mg
121-17-5
15 suppliers
$19.00/250g
13451-80-4
14 suppliers
$28.00/100mg