Day: November 5, 2020

As a common heterocyclic compound, it belongs to quinuclidine compound,Quinuclidine-4-carboxylic acid hydrochloride,40117-63-3,Molecular formula: C8H14ClNO173,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 N,N-dimethylformamide (DMF). The mixture was stirred at 50¡ãC for 30 minutes. The reaction mixture was concentrated under vacuum to obtain 3,4-dichloroisothiazole-5-carbonyl chloride.

With the complex challenges of chemical substances, 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.; EP2039690; (2009); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

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

The above intermediate IV (0.01 mol) and the hydrochloride salt of the piperazine compound (V) (0.01 mol)Dissolved in DMF (100 mL) and added K2CO3 (0.02 mol).According to the general operation three,Preparation of 3-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piperazin-1-yl)benzo[d]isothiazole (VI-2)The hydrochloride (white solid) was 3.44 g, yield 80%.

87691-88-1 is used more and more widely, we look forward to future research findings about 3-Piperazinobenzisothiazole hydrochloride

Reference£º
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Gu Zhengsong; Zhou Ainan; Xiao Ying; (26 pag.)CN109467554; (2019); A;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belongs to isothiazole compound, name is Sodium 3-oxido-5-sulfidoisothiazole-4-carboxylate, and cas is 76857-14-2, its synthesis route is as follows.,76857-14-2

4-carboxy-5-mercapto-3-hydroxy-isothiazolium trisodium (5) (24.31 g, 0.10 mol) was added to a solution of(About 65ml) hydrochloric acid stirring, the pH to 2-3, by adding 297mgDMAPStirring was continued for 20 minutes,Followed by addition of 50 ml of tert-butanol,6 ml of pyridine, Boc2O (21.83 g, 0.10 mol),In a dry environmentThe reaction was stirred at room temperature for 18 h. The reaction was complete by HPLC and the solvent was removed by rotary evaporation to give an oil which was chromatographed on ethyl acetate, The organic layer was dried over anhydrous magnesium sulfate, concentrated, and recrystallized from ethanol to give Intermediate 6 (24.11 g) in a molar yield87%, HPLC purity 99.2%.

With the complex challenges of chemical substances, we look forward to future research findings about 76857-14-2,belong isothiazole compound

Reference£º
Patent; Shandong Luoxin Pharmaceutical Group Co Ltd; Sun, Song; Xu, Qinyan; Chang, Zhicheng; (7 pag.)CN105646544; (2016); 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: C8H14ClNO201,mainly used in chemical industry, its synthesis route is as follows.,18480-53-0

To a solution of S^-dichloroisothiazole-delta-carboxylic acid (4.0Og, 20.1 mmol) in dichloromethane (75 ml_), cooled with an ice-brine bath, was added N,N-dimethylformamide (78 mul_, 1 mmol) followed dropwise by oxalyl chloride (1.94 ml_, 22.2 mmol). After stirring at room temperature for 2h, meanwhile gas evolution had completely stopped, all volatiles were removed in vacuo to affor the crude acid chloride (4.30 g).

With the complex challenges of chemical substances, we look forward to future research findings about 3,4-Dichloroisothiazole-5-carboxylic acid,belong isothiazole compound

Reference£º
Patent; BAYER CROPSCIENCE SA; WO2009/130193; (2009); A1;,
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-Piperazin-1-yl-benzoisothiazole hydrochloride (5. 29 G, 20.7 MMOL) and 4, 5-dimethoxy-2-nitrophenylacetic acid (5 g, 20.7 MMOL) were combined in 200 mL methylene chloride with triethylamine (5.77 mL, 41.4 MMOL). This solution stirred for 15 min before BIS- (2-OXO-3-OXAZOLIDINYL) phosphinic chloride (5.26 g, 20.7 MMOL) was added. After stirring overnight at rt, the reaction was quenched with water and extracted into methylene chloride. The organic layer was washed with 0.5 N HCI, water, sodium bicarbonate then water before it was dried over NA2SO4 and concentrated. The residue was taken up in methylene chloride and washed with water. The organic layer was dried over sodium sulfate, and concentrated then purified by MPLC using a Biotage prepacked silica gel cartridge eluting with 3% methanol in methylene chloride to afford 6.5 g of a tan solid. Yield 71% ; 100% purity at 214 nm; LCMS (APCI) : 443 [M+H] + ; MP 170C.

87691-88-1 is used more and more widely, we look forward to future research findings about 3-Piperazinobenzisothiazole hydrochloride

Reference£º
Patent; WARNER-LAMBERT COMPANY LLC; WO2004/41793; (2004); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

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

A CH2Cl2 solution (20mL) of [Ru3(CO)12] (100mg, 0.16mmol) and tsacH (63mg, 0.32mmol) was heated to reflux for 8h during which time the color of the solution changed from yellow to deep red. The reaction mixture was then allowed to cool at room temperature, and the solvent was removed under reduced pressure. The residue was separated by TLC on silica gel using a binary eluent composed of n-hexane/CH2Cl2 (v/v, 1:1), yielding a single yellow band corresponding to [Ru2(CO)6(mu-N,S-tsac)2] (1). The product was recrystallized from n-hexane/CH2Cl2 at 4C and furnished orange crystals of analytically pure 1 in 12% yield (14mg). Data for 1: Anal. Calc. for C20H8N2O10Ru2S4: C, 31.33; H, 1.05; N, 3.65. Found: C, 31.64; H, 1.12; N, 3.69%. IR (nuCO, CH2Cl2): 2102s, 2075vs, 2032sh, 2027s, 1961w cm-1. 1H NMR (CDCl3): delta 8.01 (d, J 7.2Hz, 2H), 7.88 (d, J 7.2Hz, 2H), 7.78 (t, J 7.2Hz, 2H), 7.73 (t, J 7.2Hz, 2H).

With the complex challenges of chemical substances, we look forward to future research findings about Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide

Reference£º
Article; Mia, Md. Jadu; Reza, Md. Selim; Bhoumik, Nikhil C.; Ghosh, Shishir; Nesterov, Vladimir N.; Richmond, Michael G.; Kabir, Shariff E.; Journal of Organometallic Chemistry; vol. 906; (2020);,
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

100.0 g of 6-Chloro-5-(2-chloroethyl) oxindole, 133.39 g of 3-(l-Piperazinyle)- 1,2-benzisothiazole hydrochloride, 105.94 g of sodium carbonate and 1500 mL of water were taken in round bottom flask and heated to 1000C to HO0C for 24-26 hours. The reaction mixture was cooled and maintained for 30 min. The solid was filtered and washed with water. The wet solid was further slurried with water followed by adjusting the pH of the reaction mass with dilute acetic acid to 6.0 to 7.5 and maintain the reaction mass for 1-2 hours. The solid was filtered and washed with water. The wet solid was treated with isopropanol 1100 mL in round bottom flask and heated at 750C to 850C for 2 hours. The reaction mixture was cooled, the obtained solid was filtered and washed with isopropanol. The wet solid was dried at 6O0C to 650C for 8-10 hours to obtain crude Ziprasidone base.

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

Reference£º
Patent; CADILA HEALTHCARE LIMITED; SHAH, Niraj, Shyamlal; DWIVEDI, Shriprakash, Dhar; WO2010/73255; (2010); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

As a common heterocyclic compound, it belong isothiazole compound,(3aS,6S,7aS)-8,8-Dimethylhexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide,94594-90-8,Molecular formula: C10H17NO2S,mainly used in chemical industry, its synthesis route is as follows.,94594-90-8

To a stirred solution of 4-methyl itaconate (1) (864 mg, 6.0 mmol) in dry CH2Cl2 (23 ml) were added 4-(dimethylamino)pyridine (161 mg, 1.3 mmol) and (S)-(?)-2,10-camphorsultam (15) (431 mg, 2.0 mmol). The mixture was cooled to 0 ¡ãC and N,N?-dicyclohexylcarbodiimide (1.36 g, 6.6 mmol) was added. The mixture was stirred at 0 ¡ãC for 1 h under N2 atmosphere. The solution was warmed to room temperature and further stirred overnight. The resulting precipitates of N,N?-dicyclohexylurea were filtered off and the filtrate was washed successively with 5percent aqueous NaHCO3, water, 1 N HCl, water and brine. The organic layer was dried over anhydrous Na2SO4 and evaporated in vacuo. The residue was purified by column chromatography on silica gel [ SiO2 51 g; hexane?EtOAc (5:1 then 3:1 v/v)] to afford amide 2 (612 mg, 90percent) as a colourless solid. Mp 86.2 ¡ãC (from diethyl ether); [alpha]D22 ?82.9 (c 1.95, CHCl3); IR (KBr) 3119, 1738, 1674, 1633, 1436, 1328, 1175, 1132, 1114, 1063, 979, 764 cm?1; 1H NMR (600 MHz) delta 6.05 (1H, d, J=1.0 Hz, =CHH), 5.88 (1H, d, J=1.0 Hz, =CHH), 4.06 (1H, dd, J=7.5, 4.9 Hz, NCH), 3.69 (3H, s, OMe), 3.52 (1H, d, J=13.7 Hz, CHHSO2), 3.47 (1H, d, J=16.1 Hz, CHHCO2Me), 3.45 (1H, d, J=13.7 Hz, CHHSO2), 3.25 (1H, d, J=16.1 Hz, CHHCO2Me), 2.05?2.00 (2H, m, CH2), 2.00?1.85 (3H, m, CH, CH2), 1.49?1.29 (2H, m, CH2), 1.22 (3H, s, Me), 1.00 (3H, s, Me); 13C NMR (100 MHz) delta 169.9, 169.0, 135.6, 127.7, 65.4, 53.2, 51.8, 47.8, 47.5, 44.9, 38.0, 32.9, 26.2, 20.9, 19.7; MS (EI+) (m/z) 341 (M+, 1percent), 310 (15), 277 (16), 218 (19), 127 (100), 99 (72), 69 (32), 59 (25); HRMS calcd for C16H24NO5S (MH+) 342.1375, found 342.1396.

With the synthetic route has been constantly updated, we look forward to future research findings about (3aS,6S,7aS)-8,8-Dimethylhexahydro-1H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide,belong isothiazole compound

Reference£º
Article; Kumazaki, Eri; Nagano, Hajime; Tetrahedron; vol. 69; 16; (2013); p. 3486 – 3494;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

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

Step 1. 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-isothiazole. To an oven dried schlenck flask charged with 6-bromo-isothiazole (0.5 g, 3.1 mmol), 4,4,5,5,4,4,5,5?-octamethyl-[2,2?]bi[[1,3,2]dioxaborolanyl] (0.85 g, 3.4 mmol), tri(dibenyzlideneacetone)dipalladium(0) (0.28 g, 0.31 mmol), tricyclohexylphosphine 20 (0.17 g, 0.61 mmol), potassium acetate (0.9 g, 9.14 mmol), followed by 1,4-dioxane (20 mL) was degassed for 5 min. under an atmosphere of nitrogen. The reaciton was heated at 100 C overnight, and cooled at rt. The reaction was diluted with dichloromethane, filtered through celite, washed with 1N sodium carbonate solution, water and brine, dried over sodium sulfate, and concentrated to give the product. LCMS m/z = 212 (M + 1).

With the complex challenges of chemical substances, we look forward to future research findings about 4-Bromoisothiazole

Reference£º
Patent; CEPHALON, INC.; HUDKINS, Robert L.; ZULLI, Allison L.; WO2015/100117; (2015); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

822-82-2, Isothiazole-4-carboxylic acid is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated,822-82-2

A mixture of l-[(5R)-5-oxido-4-(tetrahydropyran-4-ylamino)-6,7-dihydrothieno[3,2- d]pyrimidin-5-ium-2-yl]azetidin-3-ol (50 mg, 0.154 mmol), 4-isothiazolecarboxylic acid (29.9 mg, 0.231 mmol), DMAP (3.8 mg, 0.031 mmol) and EDAC (44.3 mg, 0.231 mmol) in DCM (2 mL) was shaken in a sealed vial at 50 C for 1 hour. Prep-HPLC purification (acidic) afforded the title compound as off-white solid. 1H NMR (Chloroform-d) delta: 9.36 (s, 1H), 8.94 (s, 1H), 6.37 (d, J = 7.3 Hz, 1H), 5.52 (tt, J = 6.6, 4.1 Hz, 1H), 4.58 (ddd, J = 10.7, 6.6, 1.4 Hz, 2H), 4.39 – 4.17 (m, 3H), 4.08 – 3.94 (m, 2H), 3.66 (dt, J = 17.2, 7.8 Hz, 1H), 3.54 – 3.45 (m, 2H), 3.40 (dt, J = 13.5, 8.1 Hz, 1H), 3.18 – 3.05 (m, 2H), 1.99 – 1.89 (m, 2H), 1.71 (dtd, J = 12.9, 11.5, 4.5 Hz, 1H), 1.62 (dtd, J = 13.0, 11.5, 4.6 Hz, 1H)HPLC-Retention time (XE Metode 7 CM) : 1.81 minutes. Detected “M + l”-mass: 436.10.

The synthetic route of 822-82-2 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; LEO PHARMA A/S; LARSEN, Jens; (110 pag.)WO2019/57806; (2019); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com