3-NITROBENZOYL ISOTHIOCYANATE synthesis

4synthesis methods

Product Name:3-NITROBENZOYL ISOTHIOCYANATE
CAS Number:78225-78-2
Molecular formula:C8H4N2O3S
Molecular Weight:208.19

333-20-0
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121-92-6
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78225-78-2
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$168.00/500mg

Yield:78225-78-2 90%

Reaction Conditions:

Stage #1: 3-nitrobenzoic acidwith trichloroisocyanuric acid;triphenylphosphine in toluene at 0; for 0.25 h;
Stage #2: potassium thioacyanate in toluene at 0 - 20; for 0.25 h;

Steps:

Preparation of Benzoyl Isothiocyanate from Benzoic Acid

General procedure: To a cold solution of triphenylphosphine (0.262 g, 1 mmol) in toluene (3 mL), trichloroisocyanuric acid (0.069 g, 0.3 mmol) was added with continuous stirring. Benzoic acid (0.097 g, 0.8 mmol) was added and stirring was continued for 15 min. Potassium thiocyanate (0.193 g, 2 mmol) was added and the temperature was raised up to room temperature. Stirring was continued for 40 min at room temperature. The progress of the reaction was followed by TLC. Upon completion of the reaction, the concentrated residue passed through a short silica gel column using n-hexane / ethyl acetate mixture (vol. ratio: 60:1) as the eluent. Benzoyl isothiocyanate was obtained with 95 % yield after removing the solvent under reduced pressure.

References:

Entezari, Najmeh;Akhlaghinia, Batool;Rouhi-Saadabad, Hamed [Croatica Chemica Acta,2014,vol. 87,# 3,p. 201 - 206]

333-20-0
452 suppliers
$13.50/100G