4-isothiocyanato-2-(trifluoroMethyl)benzonitrile

                                                                                          CAS NO. 143782-23-4

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To begin with, let us tell you what is the basic information of  4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Cas No. 143782-23-4 ?

Like many stuff, it has many synonyms as follows

The chemical is very special

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Second, the Synthetic Route we will recommend is the most important for your reference?

Synthesis line of  4-isothiocyanato-2-(trifluoroMethyl)benzonitrile  Cas No.: 143782-23-4 as follows

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Method 1: Using 2-Bromobenzotrifluoride producing 3-trifluoromethyl-4-cyanoaniline as the raw material, 4-isothiocyano-2- (trifluoromethyl) benzonitrile was synthesized by reacting with thiophosgene at room temperature. This method uses the volatile and highly toxic reagent thiophosgene, which is unstable and easily decomposes to produce highly toxic smoke so2, which is harmful to human health. In the end, a large amount of thiourea by-products are generated, which affects the yield.

Method 2: Using 2-Bromobenzotrifluoride producing and then 3-trifluoromethyl-4-cyanoaniline is used as the raw material, and sodium hydride is added under nitrogen protection. Carbon disulfide is added dropwise and refluxed for 20 hours. After the reaction is complete, the target product 4-isothiocyano-2- (trifluoromethyl) benzonitrile is obtained by desulfurization with lead nitrate aqueous solution and column chromatography purification. This method uses carbon disulfide instead of sulfur phosgene, but the subsequent process uses lead nitrate aqueous solution for desulfurization, generating a large amount of lead sulfide precipitation. The product is difficult to separate when coated in sediment, and the operation is cumbersome with low yield and harmful to the environment.

Method 3: Using 2-trifluoromethyl-4-aminobenzonitrile as the raw material, the intermediate 3-trifluoromethyl-4-cyanophenyldithioformate is formed by reacting with carbon disulfide under the action of an organic base - triethylenediamine (dabco). Then, a molecule of hydrogen sulfide is removed under the action of a desulfurization reagent bis (trichloromethyl) carbonate (btc) to obtain the target product i, with a yield of 83.7%. This method has a high yield, but the raw materials used are expensive, and post-treatment purification uses column chromatography, which is not suitable for industrial production.

Third, what is the usage of  4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Cas No.: 143782-23-4 ?   pleas see below

Main Usage:

4-isothiocyanoyl-2- (trifluoromethyl) benzonitrile is a reagent used for the synthesis of thioimidazolinone compounds and is a potential anti prostate cancer drug. It is also used as an intermediate for enzalutamide.

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Other usages as below

One kind of raw material for producing enzalutamide cas no 915087-33-1,which is as follows

Besides Safety Information is also important when handling it

What is the appearance of  4-isothiocyanato-2-(trifluoroMethyl)benzonitrile?   Please see the picture of 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile  Cas No.: 143782-23-4 below

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Specification of Isothiocyanato-2-(trifluoromethyl)benzonitrile Cas No.: 143782-23-4 is below

Apperance: white to yellow powder or solid.

Assay: 98 % min by GC

IR identity: conform

Melting Point:39~43℃

Water by KF:0.5% max.

HNMR  picture of  4-isothiocyanato-2-(trifluoroMethyl)benzonitrile, Cas No.: 143782-23-4   is as follows,

Reference of  Article cited for your reference below,

（1）Laboratory Chemical Safety Summary (LCSS) Datasheet

（2）European Chemicals Agency (ECHA)

（3） Cereblon binding compounds, compositions thereof, and methods of treatment therewith

         Publication Number: WO-2022272053-A1

         Priority Date: 2021-06-25