Day: October 19, 2020

Name is 3-Chlorobenzo[d]isothiazole, as a common heterocyclic compound, it belongs to isothiazole compound, and cas is 7716-66-7, its synthesis route is as follows.,7716-66-7

A solution of the product from step b) (200 mg) and 3-chloro-1, 2-benzisothiazole (171mg) in NMP (2ml) and 4M hydogen chloride in dioxan (0.2 ml) was stirred at [140¡ãC] overnight and then at [150 ¡ãC] for 1 hour. and evaporated. The residue was taken up in ethyl acetate, washed with brine (3X), dried [(MGSO4)] and evaporated. The residue was purified by silica chromatography using 20percent acetone in isohexane as eluent to give the title compound (219 mg). MS: APCI (-ve): 331 [[M+H] +] [APOS;H] NMR (DMSO-d6) [8] 8.33 [(1H,] s), 8.01 [(1H,] d), 7.66 [(1H,] d), 7.56 [(1H,] t), 7.39 [(1H,] t), 6.99 [(1H,] d), 2.34 (3H, s), 1.79 (3H, d).

With the complex challenges of chemical substances, we look forward to future research findings about 3-Chlorobenzo[d]isothiazole

Reference£º
Patent; ASTRAZENECA AB; WO2003/101981; (2003); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

Isothiazole-5-carboxylic acid, cas is 10271-85-9, it is a common heterocyclic compound, the isothiazole compound, its synthesis route is as follows.,10271-85-9

To a stirred solution isothiazole-5-carboxylic acid 46 (1.75 g, 13.56 mmol) in CH2Cl2 (50 mL) under inert atmosphere were added N, O-dimethylhydroxylamine (1.45 g, 14.92 mmol), EDCI.HCl (2.85 g, 14.92 mmol), DMAP (1.66 g, 13.56 mmol) and N-methylmorpholine (4.1 mL, 40.69 mmol) at 0 oC, followed by warming to room temperature and stirring for 16 h. The reaction was monitored by TLC. After completion of the reaction, the reaction mixture was poured into ice-cold water, extracted with CH2Cl2. The combined organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo to obtain the crude. The crude was purified through silica gel column chromatography using 2% MeOH/ CH2Cl2 to afford compound 47 (1.2 g, 52%) as brown syrup. TLC: 5% MeOH/ CH2Cl2 (Rf: 0.2); 1H NMR (400 MHz, DMSO-d6): delta 8.64 (d, J = 1.8 Hz, 1H), 7.96 (d, J = 1.8 Hz, 1H), 3.82 (s, 3H), 3.33 (s, 3H); LCMS Calculated for C6H8N2O2S: 172.03; Observed: 173.1 (M+1)+.

With the rapid development of chemical substances, we look forward to future research findings about Isothiazole-5-carboxylic acid

Reference£º
Patent; ASSEMBLY BIOSCIENCES, INC.; TURNER, William, W., Jr.; LI, Leping; HAYDAR, Simon, Nicolas; BURES, Mark, G.; RAI, Roopa; FRANCIS, Samson; ARNOLD, Lee, Daniel; (0 pag.)WO2018/160878; (2018); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belongs to quinuclidine compound,Quinuclidine-4-carboxylic acid hydrochloride,40117-63-3,Molecular formula: C8H14ClNO232,mainly used in chemical industry, its synthesis route is as follows.,87691-88-1

EXAMPLE 79 3-(4-(1-(1,2-Benzisothiazol-3-yl)-4-piperazinyl)butyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one hydrochloride A mixture of 3-(4-bromobutyl)-2-methyl-1-thia-3-azaspiro[4.4]nonan-4-one (3.84 g), 1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride (3.49 g), K2 CO3 (5.90 g) and NaI (280 mg) in acetonitrile (215 ml) was heated at between 65-80 C. for 16.5 hours and the product was processed in substantially the same manner as in Example 10 to afford 2.86 g of crystals, m.p. 210-215 C. ANALYSIS: Calculated for C23 H32 N4 OS2 *HCl: 57.42%C; 6.91%H; 11.64%N; 7.37%Cl. Found: 57.21%C; 6.87%H; 11.63%N; 7.03%Cl.

With the complex challenges of chemical substances, we look forward to future research findings about 3-Piperazinobenzisothiazole hydrochloride,belong isothiazole compound

Reference£º
Patent; Hoechst-Roussel Pharmaceuticals Inc.; US4933453; (1990); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belongs to isothiazole compound, name is 3-Piperazinobenzisothiazole hydrochloride, and cas is 87691-88-1, its synthesis route is as follows.,87691-88-1

3. Preparation of ZPR in water/Na3CO . Na2SO4. In a three necked flask was charged BITP HC1 (lOg), CEI (10.35g) Na2C03 (14.1 g, ), Na2SO4 (40g) and water (50. 7g) and the reaction mixture was heated at reflux for 9 hours. After 9 hours reflux, the ziprasidone peak is No.71% area from the reaction mixture.; 6. Preparation of ZPR in the presence of Na2SO4. In a 250g three necked flask was charged water (25ml), Na2C03 (6.91g), Na2S04 (19.72g), BITP HCl (4.9g) and CEI (4.68g). The mixture was stirred at-100C for 12 hours. The isolated solid weights after drying 7.77g (purity by HPLC 85.15%).

With the complex challenges of chemical substances, we look forward to future research findings about 87691-88-1,belong isothiazole compound

Reference£º
Patent; TEVA PHARMACEUTICAL INDUSTRIES LTD.; TEVA PHARMACEUTICALS USA, INC.; WO2005/40160; (2005); A2;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belong isothiazole compound,3,4-Dichloroisothiazole-5-carboxylic acid,18480-53-0,Molecular formula: C4HCl2NO2S,mainly used in chemical industry, its synthesis route is as follows.,18480-53-0

To 4.0 g (20.3 mmol) of 3,4-dichloroisothiazole-5-carboxylic acid were added 8 ml of oxalyl chloride and a catalytic amount of DMF, followed by stirring at 50¡ãC for 30 minutes to give rise to a reaction. The reaction mixture was concentrated under vacuum to obtain 3,4-dichloroisothiazole-5-carbonyl chloride. 1.9 g (50.5 mmol) of sodium borohydride was suspended in 40 ml of water. To the resulting suspension was dropwise added, at 10 to 15¡ãC, a solution of the 3,4-dichloroisothiazole-5-carbonyl chloride dissolved in THF (4 ml). Stirring was conducted at 15¡ãC for 30 minutes. Then, an aqueous citric acid solution was added to make the mixture weakly acidic and extraction with ethyl acetate was conducted. The organic layer was washed with water, dried over anhydrous magnesium sulfate, and concentrated. The resulting crystals were washed with hexane to obtain 3.0 g (yield: 81percent) of (3,4-dichloroisothiazol-5-yl)methanol as colorless crystals (melting point: 94 to 95¡ãC). 1H-NMR (CDCl3) delta: 2.28 (1H, bs), 4.96 (2H, s) ppm In 6 ml of acetonitrile were dissolved 0.62 g (3.10 mmol) of 3-chloro-1,2-benzoisothiazole 1,1-dioxide and 0.57 g (3.10 mmol) of the (3,4-dichloroisothiazol-5-yl)methanol. To the resulting solution was dropwise added 0.34 g (3.4 mmol) of triethylamine, followed by stirring at room temperature for 5 hours to give rise to a reaction. After the completion of the reaction, 12 ml of water was added. The resulting crystals were obtained by filtration. The crystals were washed with water and isopropyl alcohol to obtain 0.89 g (yield: 82percent) of 3-(3,4-dichloroisothiazol-5-ylmethoxy)-1,2-benzoisothiazole 1,1-dioxide as a colorless powder (melting point: 165 to 167¡ãC). 1H-NMR (CDCl3) delta: 5.79 (2H, s), 7.73-7.94 (4H, m) ppm.

With the synthetic route has been constantly updated, we look forward to future research findings about 3,4-Dichloroisothiazole-5-carboxylic acid,belong isothiazole compound

Reference£º
Patent; KUMIAI CHEMICAL INDUSTRY CO., LTD.; IHARA CHEMICAL INDUSTRY CO., LTD.; EP2017268; (2009); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

4-Bromoisothiazole, cas is 24340-77-0, it is a common heterocyclic compound, the isothiazole compound, its synthesis route is as follows.,24340-77-0

In a nitrogen atmosphere at 100 C,(2E) -3- (4- (tributylstannyl) pyridin-3-yl) ethyl acrylate (33 mg)4-bromoisothiazole (17.41 mg),Pd (Ph3P) 4 (8.18 mg),Cuprous iodide (I) (2.70 mg),A mixture of cesium fluoride (21.50 mg) and DMF (1.5 mL) was stirred at room temperature for 13 hours.Similarly, in a nitrogen atmosphere, 100 C,(2E) -3- (4- (tributylstannyl) pyridin-3-yl) acrylate (497 mg)4-bromoisothiazole (262 mg), Pd (Ph3P) 4 (123 mg),A mixture of cuprous iodide (I) (40.6 mg), cesium fluoride (324 mg) and DMF (10 mL) was stirred for 13 hours.The reaction mixture was combined and the insoluble material was filtered.The filtrate was diluted with ethyl acetate (20 mL), water (10 mL) and saturated aqueous sodium bicarbonate (10 mL), and the aqueous layer was extracted with ethyl acetate. The extract was washed with water and brine, dried over anhydrous sodium sulfate, and the solvent was removed by distillation under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate / hexane) to give the title compound (222 mg).

24340-77-0 is used more and more widely, we look forward to future research findings about 4-Bromoisothiazole

Reference£º
Patent; TAKEDA PHARMACEUTICAL COMPANYLIMITED; HIRAYAMA, TAKAHARU; FUJIMOTO, JUN; CARY, DOUGLAS ROBERT; OKANIWA, MASANORI; HIRATA, YASUHIRO; (289 pag.)TW2017/14883; (2017); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belongs to isothiazole compound, name is 3,4-Dichloroisothiazole-5-carboxylic acid, and cas is 18480-53-0, its synthesis route is as follows.,18480-53-0

15 g of 3,4-dichloroisothiazole-5-carboxylic acid (75.7 mmol) were dissolved in 300 ml of ethanol and 8.4 ml of concentrated sulphuric acid were added. The mixture was stirred under reflux for 20 h. The reaction mixture was then concentrated to half the original volume, neutralized with saturated NaHCO3, added to water and extracted with dichloromethane. The dichloromethane phases were dried and carefully concentrated on a rotary evaporator. Yield:15.2 g (89percent of theory).?H-NMR (400 MHz, CDC13 3, ppm) 4.44 (q, 2H), 1.42 (tr, 3H).

With the complex challenges of chemical substances, we look forward to future research findings about 18480-53-0,belong isothiazole compound

Reference£º
Patent; BAYER CROPSCIENCE AKTIENGESELLSCHAFT; BERNIER, David; CRISTAU, Pierre; TSUCHIYA, Tomoki; RINOLFI, Philippe; DROeGE, Thomas; MAECHLING, Simon; SCHMIDT, Jan Peter; TELSER, Joachim; DOeLLER, Uwe; MOSRIN, Marc; REY, Jullien; TIEBES, Joerg; WACHENDORFF-NEUMANN, Ulrike; (467 pag.)WO2016/102435; (2016); A2;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belong isothiazole compound,3,4-Dichloroisothiazole-5-carboxylic acid,18480-53-0,Molecular formula: C4HCl2NO2S,mainly used in chemical industry, its synthesis route is as follows.,18480-53-0

3,4-Dichloroisothiazol-5-carboxylic acid (0.235 g, 1.2 mmol), dichloromethane (6 ml), N,N-dimethylformamide (2 drops) were added dropwise to the reaction flask. Add oxalyl chloride (1 g, 8 mmol),The reaction solution was stirred at room temperature for 4 hours.The solvent was then evaporated to give 3,4-dichloroisothiazol-5-carbonyl chloride, which was dissolved in dichloromethane (2 mL).Then 4-fluoro-2-(2-pentyloxy)aniline (0.197 g, 1 mmol) was added to the reaction flask and triethylamine (0.13 mL) was added.Further, a 3,4-dichloroisothiazol-5-formyl chloride solution was added dropwise to the reaction flask, and the mixture was stirred at room temperature for 16 hours.Then after monitoring the reaction by thin layer chromatography,Water was added to the reaction mixture, and the mixture was extracted with ethyl acetate.The organic layer was washed with saturated brine.After drying over anhydrous sodium sulfate, it was concentrated under reduced pressure.The residue was purified by column chromatography (eluent: petroleum ether: ethyl acetate = 20:1).Obtained a fresh yellow solid of 0.236 g.The yield was 62.76percent.

With the synthetic route has been constantly updated, we look forward to future research findings about 3,4-Dichloroisothiazole-5-carboxylic acid,belong isothiazole compound

Reference£º
Patent; Shanghai Taihe International Trade Co., Ltd.; Ma Wenjing; Lv Liang; Li Hongwei; Hou Shuang; Du Yonglei; Liu Jiyong; (31 pag.)CN108383791; (2018); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

Name is 3-Piperazinobenzisothiazole hydrochloride, as a common heterocyclic compound, it belongs to isothiazole compound, and cas is 87691-88-1, its synthesis route is as follows.,87691-88-1

5. Preparation of ZPR in the melt of Na C03 decahydrate. To the melt of Na2C03 decahydrate (40g) was added BITP HCl (lOg) and CEI (10.35g) and the mixture was heated at 95 C for 10 hours. After 10 h the conversion to ZRP was 88. 2% (% area by HPLC). To the reaction mixture water was added and the solid was filtrated and washed with water. After drying the solid weighs 17.14g (purity by HPLC 88%).; 7. Preparation of ZPR in the presence of NaCl. In a three necked flask was charged 40 ml brine, BITP HC1 (14. 1g), CEI (10.35g) and Na2C03 (14. 1g) ; the mixture was than heated at 90C for 16hours. After this the mixture was cooled, water was added and the solid was filtrated, washed with water and dried. The product weights after drying 16.9g (purity by HPLC 87.5%).

With the complex challenges of chemical substances, we look forward to future research findings about 3-Piperazinobenzisothiazole hydrochloride

Reference£º
Patent; TEVA PHARMACEUTICAL INDUSTRIES LTD.; TEVA PHARMACEUTICALS USA, INC.; WO2005/40160; (2005); A2;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belongs to isothiazole compound, name is Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide, and cas is 27148-03-4, its synthesis route is as follows.,27148-03-4

A solution of thiosaccharin (tsacH) (0.084 g, 0.425 mmol) in chloroform (10 cm3) was added to a solution of [Pt(kappa2-dppm)2]Cl2 (0.22 g, 0.22 mmol) in chloroform (10 cm3). A few drops of triethylamine were added and the resulting mixture was heated under reflex for 1 h. This produced a yellow solution which was filtered and reduced to half volume. Methanol (2 cm3) was added and the mixture was set aside to evaporate slowly at room temperature. The pale yellow crystalline solid thus formed was filtered off and dried in a vacuum oven (85%). 11: pale yellow solid, 85% yield. 1H NMR: delta 7.57 (d, J 7.60 Hz, 4H, Ar), 7.50-6.80 (m, 44 H, Ar), 3.46 (br, 4H, CH2); 31P{1H} NMR: 253 K 18.1 (br), -30.4 (br) ppm; 298 K 16.8 (vbr), -28.1 (vbr) ppm; 333 K -23.3 (vbr) ppm; IR(KBr) 3053w, 2932w, 1431s, 1313vs, 1159vs, 994s, 800s, 694s, 378m cm-1; Elemental Anal. Calc. for PtN2S4P4O4C64H52¡¤0.5CH2Cl2. Found: C, 55.42 (55.00); H, 3.79 (3.66); N: 2.00 (1.97)%.

With the complex challenges of chemical substances, we look forward to future research findings about 27148-03-4,belong isothiazole compound

Reference£º
Article; Al-Jibori, Subhi A.; Al-Jibori, Mohamed H.S.; Hogarth, Graeme; Inorganica Chimica Acta; vol. 398; (2013); p. 117 – 123;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com