Tag: M.W:100-200

As a common heterocyclic compound, it belongs to quinuclidine compound,Quinuclidine-4-carboxylic acid hydrochloride,40117-63-3,Molecular formula: C8H14ClNO116,mainly used in chemical industry, its synthesis route is as follows.,4576-90-3

To a slurry of isothiazole-3-carboxylic acid (5.0 g, 38.7 mmol) in terf-butanol (194 ml_) was added triethylamine (4.3 g, 42.6 mmol) followed by diphenyl phosphoryl azide (11.9 g, 43.3 mmol). The reaction mixture was heated to reflux for 9 hours. After cooling the ambient temperature, the reaction mixture was concentrated in vacuo and the residue dissolved in ethyl acetate (300 ml_). The organic layer was washed with water (100 ml_), 1 N sodium hydroxide solution (50 ml_), water (100 ml_), brine (50 ml_), and dried over anhydrous magnesium sulfate. Filtration and concentration of the filtrate in vacuo afforded a residue. Purification of the residue by column (0805) chromatography, eluting with a gradient of 0 to 10% of ethyl acetate in heptane, provided the title compound as a colorless solid (6.16 g, 79 % yield): 1FI NMR (300 MHz, CDCIs) 9.03-8.98 (m, 1 H), 8.58 (d, J = 4.9 Hz, 1 H), 7.70 (d, J = 4.9 Hz, 1 H), 1.53 (d, J = 0.7 Hz, 9H).

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

Reference£º
Patent; XENON PHARMACEUTICALS INC.; FOCKEN, Thilo; ANDREZ, Jean-Christophe; BURFORD, Kristen Nicole; DEHNHARDT, Christoph Martin; GRIMWOOD, Michael Edward; JIA, Qi; LOFSTRAND, Verner Alexander; WILSON, Michael Scott; ZENOVA, Alla Yurevna; WESOLOWSKI, Steven Sigmund; SUN, Shaoyi; (205 pag.)WO2020/47323; (2020); 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: C8H14ClNO3,mainly used in chemical industry, its synthesis route is as follows.,27148-03-4

General procedure: For 6: A solution of thiosaccharin (tsacH) (0.06 g, 0.307 mmol) in chloroform (8 cm3) was added to a solution of [PtCl2(kappa2-dppm)] (0.10 g, 0.154 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 was filtered off and reduced to half volume. Methanol (2 cm3) was added and the mixture was set a side to evaporate slowly at room temperature. The yellow crystalline solid thus formed was filtered off and dried in a vacuum oven (0.12 g, 91%).

With the synthetic route has been constantly updated, we look forward to future research findings about Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide,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

Name is 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide, as a common heterocyclic compound, it belongs to isothiazole compound, and cas is 111248-89-6, its synthesis route is as follows.,111248-89-6

4c. 1-Methyl-i ,3-dihydrobenzo[c]isothiazole-2 ,2-dioxide To a suspension of I ,3-dihydrobenzo[c]isothiazole-2,2-dioxide (280 mg,1.655 mmol) and potassium carbonate (229 mg, 1.66 mmol) in DMF (5 mL) was added iodomethane (414 pL, 6.62 mmol). The reaction was stirred for 6 hr at RT andwas then quenched with a sat. NH4CI solution. The reaction mixture was concentratedand purified by column chromatography (CyHex/acetone) to afford the title compound asa white solid (270 mg, 89%). 1H NMR (500 MHz, CDCI3) ppm = 7.37-7.32 (m, 1H), 7.27-7.24 (m, 1H), 7.02 (td, J=7.6, 1.0, IH), 6.73 (d, J8.0, IH), 4.34 (s, 2H), 3.14 (s, 3H); Rt= 2.07 mm (H PLC method F).

With the complex challenges of chemical substances, we look forward to future research findings about 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide

Reference£º
Patent; MERCK PATENT GMBH; CANCER RESEARCH TECHNOLOGY LIMITED; SCHIEMANN, Kai; STIEBER, Frank; CALDERINI, Michel; BLAGG, Julian; MALLINGER, Aurelie; WAALBOER, Dennis; RINK, Christian; CRUMPLER, Simon Ross; (127 pag.)WO2015/144290; (2015); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide, cas is 936-16-3, it is a common heterocyclic compound, the isothiazole compound, its synthesis route is as follows.,936-16-3

2,3-dihydro-1,1-dioxo-1,2-benzoisothiazole (150 mg, 0.887 mmol), N-Boc-bromoethylamine (238mg, 1.064mmol) And cesium carbonate (867mg, 2.66mmol) in 5ml DMF, It was then stirred overnight. On the following day, after the reaction was detected by TLC, water was added for extraction. It was washed with saturated brine and dried over anhydrous sodium sulfate. Suction filtration, the filtrate was concentrated under reduced pressure, the crude product was separated by column chromatography, 124 mg of a white solid were obtained with a yield of 45%.

936-16-3 is used more and more widely, we look forward to future research findings about 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide

Reference£º
Patent; Chinese Academy Of Sciences Shanghai Pharmaceutical Institute; Zhang Ao; Meng Linghua; Ding Jian; Chen Shulun; Ding Chunyong; Guo Wei; (26 pag.)CN110143955; (2019); A;,
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: C8H14ClNO97,mainly used in chemical industry, its synthesis route is as follows.,111248-89-6

c. 1-Methyl-1,3-dihydrobenzo[c]isothiazole-2,2-dioxide To a suspension of 1,3-dihydrobenzo[c]isothiazole-2,2-dioxide (280 mg, 1.655 mmol) and potassium carbonate (229 mg, 1.66 mmol) in DMF (5 mL) was added iodomethane (414 muL, 6.62 mmol). The reaction was stirred for 6 h at rt and was then quenched with a sat. NH4Cl solution. The reaction mixture was concentrated and purified by column chromatography (CyHex/acetone) to afford the title compound as a white solid (270 mg, 89%).

With the complex challenges of chemical substances, we look forward to future research findings about 1,3-Dihydrobenzo[c]isothiazole 2,2-dioxide,belong isothiazole compound

Reference£º
Patent; Merck Patent GmbH; Cancer Research Technology, Ltd.; SCHIEMANN, Kai; BLAGG, Julian; MALLINGER, Aurelie; RINK, Christian; SEJBERG, Jimmy; HONEY, Mark; (139 pag.)US2016/16951; (2016); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

822-82-2,With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.822-82-2,Isothiazole-4-carboxylic acid,as a common compound, the synthetic route is as follows.

To a solution of isothiazole-4-carboxylic acid (1. 70 g, 12.98 mmol) in THF (17ml) was added t-BuLi (29.95 mL) at -78 C, and then a solution of CBr4 (8.62 g, 25.96 mmol) in10 THF (10 ml) was added dropwise. The mixture was stirred at -78 oc for 2 h, quenched withaddition of saturated aqueous NH4Cl and extracted with EtOAc (50 mL x 3). The aqueous layerwas adjusted to pH~ 1.5 by addition ofHCl, and then extracted with EtOAc (50 mL x 3). Thecombined organic layers were dried over MgS04, filtered, and concentrated in vacuo providingthe title compound (1.50 g), which was used without further purification.

822-82-2 Isothiazole-4-carboxylic acid 12430656, aisothiazole compound, is more and more widely used in various fields.

Reference£º
Patent; MERCK SHARP & DOHME CORP.; BESHORE, Douglas C.; KUDUK, Scott D.; LIVERTON, Nigel; LUO, Yunfu; MENG, Na; YU, Tingting; WO2015/18029; (2015); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide, cas is 936-16-3, it is a common heterocyclic compound, the isothiazole compound, its synthesis route is as follows.,936-16-3

Example 83 2-((5-Isobutyl-1-phenyl-1H-pyrazol-3-yl)methyl)-2,3-dihydrobenzo[d]isothiazole-1,1-dioxide (Compound 28) To a solution of 1,2-benzisothiazoline-1,1-dioxide (51.8 mg, 0.306 mmol) in N,N-dimethylformamide (1.0 mL) was added potassium carbonate (423 mg, 3.06 mmol), followed by stirring for 10 min. This solution was added with (5-isobutyl-1-phenyl-1H-pyrazol-3-yl)methyl bromide (108 mg, 0.367 mmol) in methylene chloride, and stirred for a day. Dilution was carried out in ethyl acetate before filtration. The filtrate was extracted with 1N HCl and an aqueous saturate sodium hydrogen carbonate solution. The organic layer was dried over magnesium sulfate, and concentrated in vacuo. The concentrate was purified by column chromatography (Hexane:EtOAc=3:1?2:1) to afford the title compound (99.8 mg, 85.5percent). 1H NMR (400 MHz, CDCl3) delta 7.81-7.79 (m, 2H), 7.58-7.33 (m, 8H), 6.35 (s, 1H), 4.54 (s, 2H), 4.39 (s, 2H), 2.50 (d, J=7.06 Hz, 2H), 1.84-1.77 (m, 1H), 0.84 (d, J=6.56 Hz, 6H) 13C NMR (100 MHz, CDCl3) delta 147.2, 144.7, 139.7, 135.1, 134.0, 132.6, 129.2, 129.0, 128.1, 125.7, 124.6, 121.3, 106.0, 50.0, 41.3, 35.2, 28.3, 22.4

With the rapid development of chemical substances, we look forward to future research findings about 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide

Reference£º
Patent; KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY; NAM, Ghil Soo; CHOI, Kyung Il; KIM, Jung Hyun; PAE, Ae Nim; HONG, Jin Ri; LEE, Jae Kyun; (30 pag.)US2015/329533; (2015); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

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

Preparation 3 3-(1-Piperazinyl)-1,2-benzisothiazole * hydrochloride Anhydrous piperazine (49.4g, 0.57 mol) and t-butanol (10 mL) were added to a dry, 300 mL round bottom flask equipped with a mechanical stirrer, thermometer, condenser topped with a nitrogen inlet, and pressure-equalizing dropping tunnel. After the flask was purged with nitrogen, it was heated to 100¡ãC in an oil bath. A solution of 3-chloro-1,2-benzisothiazole (19.45g, 0.11 mol) in t-butanol (10 mL) was added to the addition tunnel, and then slowly added to the reaction flask over 20 minutes to moderate an exothermic reaction (112 – 118¡ãC). Once addition was complete the yellow solution was heated to reflux (121¡ãC) and then maintained at reflux for 24 hours. Thin-layer chromatography showed that the reaction was complete. The reaction mixture was cooled to 85¡ãC and 120 mL of water was added. The hazy solution was filtered and the filter cake rinsed with 60 mL of t-butanol/water (1:1) solution. The pH of the combined filtrate and wash was adjusted to 12.2 with 50percent aqueous caustic. The aqueous solution was extracted with toluene (200 mL), the layers were separated, and the aqueous layer was extracted with fresh toluene (100 mL). The combined toluene layers were washed with water (75 mL), and then the toluene solution was concentrated in vacuo at 48¡ãC to 90 mL. Isopropanol (210 mL) was added to the concentrate and then the pH was slowly adjusted to 3.8 with 7.6 mL of concentrated hydrochloric acid. The resulting slurry was cooled to 0¡ãC, granulated for 45 min, and then filtered. The filter cake was washed with cold isopropanol (50 mL) and then dried in vacuo at 40¡ãC to afford 23.59g (80percent yield) of 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride as an off white solid.

With the complex challenges of chemical substances, we look forward to future research findings about 7716-66-7,belong isothiazole compound

Reference£º
Patent; PFIZER INC.; EP790236; (1997); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

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

EXAMPLE 3 3-(1-Piperazinyl)-1,2-benzisothiazoleodsold;hydrochloride Anhydrous piperazine (49.4 g, 0.57 mol) and t-butanol (10 mL) were added to a dry, 300 mL round bottom flask equipped with a mechanical stirrer, thermometer, condenser topped with a nitrogen inlet, and pressure-equalizing dropping funnel. After the flask was purged with nitrogen, it was heated to 100¡ã C. in an oil bath. A solution of 3-chloro-1,2-benzisothiazole (19.45 g, 0.11 mol) in t-butanol (10 mL) was added to the addition, funnel, and then slowly added to the reaction flask over 20 minutes to moderate an exothermic reaction (112-118¡ã C.). Once addition was complete the yellow solution was heated to reflux (121¡ã C.) and then maintained at reflux for 24 hours. Thin-layer chromatography showed that the reaction was complete. The reaction mixture was cooled to 85¡ã C. and 120 mL of water was added. The hazy solution was filtered and the filter cake rinsed with 60 mL of t-butanol/water (1:1) solution. The pH of the combined filtrate and wash was adjusted to 12.2 with 50percent aqueous caustic. The aqueous solution was extracted with toluene (200 mL), the layers were separated, and the aqueous layer was extracted with fresh toluene (100 mL). The combined toluene layers were washed with water (75 mL), and then the toluene solution was concentrated in vacuo at 48¡ã C. to 90 mL. Isopropanl (210 mL) was added to the concentrate and then the pH was slowly adjusted to 3.8 with 7.6 mL of concentrated hydrochloric acid. The resulting slurry was cooled to 0¡ã C., granulated for 45 min, and then filtered. The filter cake was washed with cold isopropanol (50 mL) and then dried in vacuo at 40¡ã C. to afford 23.59 g (80percent yield) of 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride as an off white solid.

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

Reference£º
Patent; Pfizer, Inc.; US6111105; (2000); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

18480-53-0, 3,4-Dichloroisothiazole-5-carboxylic acid is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

Add 5 mmol of compound I-1 to a 250 ml two-neck round bottom flask. 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDCI) is 6 mmol, 1-hydroxybenzotriazole (HOBT) was 5.13 mmol, dissolved in dichloromethane solution and stirred in an ice bath for 15 minutes. A solution of the amine in dichloromethane (25 ml) was added to the reaction system. Then 6 mmol of Et3N was added and the reaction mixture was stirred at room temperature for 16 hours. After the reaction is completed, wash with water (2 ¡Á 60 ml) and saturated with brine (80 ml)Wash the organic layer, The organic layer was dried over MgSO4 and concentrated under reduced vacuo. The residue is purified by 100-200 mesh silica gel column chromatography to give compound II-1. The eluent is petroleum ether: ethyl acetate at 60-90 degrees Celsius.Its volume ratio is 4:1, yield 70%; white solid, melting point 125-126%,

18480-53-0, The synthetic route of 18480-53-0 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; Nankai University; Fan Zhijin; Yang Dongyan; Li Zhengming; Wang Haixia; Guo Xiaofeng; Zhang Nailou; Wu Qifan; Yu Bin; Zhou Shuang; (21 pag.)CN110041287; (2019); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com