Day: September 11, 2020

A common heterocyclic compound, the isothiazole compound, name is 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide,cas is 936-16-3, mainly used in chemical industry, its synthesis route is as follows.,936-16-3

Step 2. A mixture of 12 (100 mg, 0.40 mmol), 1 (67 mg, 0.40 mmol), potassium carbonate (55 mg, 0.40 mmol), Cul (3.8 mg, 0.019 mmol), and L-proline (2.3 mg, 0.019 mmol) in dioxane (4 mL) was stirred at 110¡ãC for 16 hours under an inert atmosphere. Upon completion, water (40 mL) was added and the reaction mixture was extracted with EtOAc (90 mL). The organic phase was washed with brine (50 mL) and concentrated under reduced pressure. Purification with prep-HPLC (0.075percent TFA/CH3CN/H20 system) resulted in Compound 121 (40 mg, 29percent) as yellow solid and TFA salt. 1H NMR (DMSO-d6, 400MHz) delta 8.69-8.68 (d, 1H), 8.53-8.52 (d, 1H), 7.99-7.94 (m, 3H), 7.77 (m, 1H), 7.67-7.62 (m, 3H), 7.07-7.05 (d, 1H), 6.83-6.81 (d, 1H), 4.95 (s, 2H); LCMS (ESI): m/z 340.1 (M+H).

As the rapid development of chemical substances, we look forward to future research findings about 936-16-3

Reference£º
Patent; NUMERATE, INC.; RAIMUNDO, Brian; KOLTUN, Elena S.; GRIFFIN, John; STANGELAND, Eric; (93 pag.)WO2018/49324; (2018); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.936-16-3,2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide,as a common compound, the synthetic route is as follows.,936-16-3

Example 84 2-[{1-(tert-Butyl)-5-isobutyl-1H-pyrazol-3-yl}methyl]-2,3-dihydro[d]isothiazole 1,1-dioxide (Compound 29) To a solution of 1,2-benzisothiazoline-1,1-dioxide (70.4 mg, 0.416 mmol) in N,N-dimethylformamide (2 mL) was added potassium carbonate (578 mg, 4.16 mmol) at room temperature, followed by stirring for 10 min. This solution was slowly added with drops of {1-(tert-butyl)-5-isobutyl-1H-pyrazol-3-yl}methyl bromide (126 mg, 0.462 mmol) in methylene chloride (4 mL), and then stirred at room temperature for a day. When the reaction was completed as measured by TLC (Hexane:EtOAc=6:1), the reaction mixture was filtered through celite in vacuo. The filtrate was neutralized with 1M HCl and an aqueous saturate sodium hydrogen carbonate solution. After extraction with ethyl acetate and water, the organic layer thus formed was dried over anhydrous magnesium sulfate, filtered, and concentrated in vacuo. The concentrate was purified by column chromatography (Hexane:EtOAc=6:1) to afford the title compound (124 mg, 79percent, white solid). M.P. 102.5-105.4¡ã C.; 1H NMR (300 MHz, CDCl3) delta 7.81 (d, J=6.6 Hz, 1H), 7.60-7.48 (m, 2H), 7.36 (d, J=7.4 Hz, 1H), 6.18 (s, 1H), 4.45 (s, 2H), 4.34 (s, 2H), 2.64 (d, J=7.1 Hz, 2H), 2.06-1.09 (m, 1H), 1.64 (s, 9H), 0.98 (d, J=6.6 Hz, 6H); 13C NMR (75 MHz, CDCl3) delta 143.62, 143.10, 135.4, 134.3, 132.5, 128.9, 124.5, 121.3, 106.7, 59.9, 49.9, 41.5, 37.3, 30.5, 28.4, 22.7

The synthetic route of 936-16-3 has been constantly updated, and we look forward to future research findings.

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

10271-85-9, Isothiazole-5-carboxylic acid is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

Example 318 (12 mg, 0.029 mmol), isothiazole-5-carboxylic acid (7.38 mg, 0.057 mmol) and triethylamine (7.97 mul, 0.057 mmol) were suspended in toluene (1 mL) in a pressure rated 1 dram vial. Diphenylphosphoryl azide (15.73 mg, 0.057 mmol) was added to the mixture which was heated to 110 C for 3 hours. The crude reaction mixture was purified by reverse phase HPLC (Method D, 65-100% 20 min, 100% 5 min) to yield Example 621 (1.3 mg, 2.38 mmol, 8% yield). C-MS: Method H, RT = 1.25 min, MS (ESI) m/z: 546.10 (M+H)+. 1HNMR (500 MHz, DMSO-d6) delta 8.77 (s, 1H), 8.62 (s, 1H), 8.21 (s, 1H), 8.02-8.12 (m, 1H), 7.88 (s, 1H), 6.81 (s, 1H), 4.61-4.69 (m, 2H), 4.46-4.56 (m, 2H), 4.10 (s, 3H), 3.19 (s, 3H)., 10271-85-9

The synthetic route of 10271-85-9 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; BRISTOL-MYERS SQUIBB COMPANY; ZHANG, Xiaojun; PRIESTLEY, Eldon Scott; BATES, J. Alex; HALPERN, Oz Scott; REZNIK, Samuel Kaye; RICHTER, Jeremy M.; (1137 pag.)WO2018/13774; (2018); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

The isothiazole compound, name is 3-Piperazinobenzisothiazole hydrochloride,cas is 87691-88-1, mainly used in chemical industry, its synthesis route is as follows.,87691-88-1

A mixture of 3-piperazin-1-yl-benzo[d]isothiazole hydrochloride (1.62 g, 6.34 mmol), product from Example 88B (1.90 g, 7.61 mmol), anhydrous potassium carbonate (1.93 g, 13.9 mmol), and potassium iodide (200 mg) in acetonitrile (80 ml) was refluxed for 48 hours. The reaction mixture was concentrated and the residue was partitioned between methylene chloride and water. The organic layer was dried over magnesium sulfate, filtered, and concentrated. The crude product was eluted through a flash column (silica gel 60, 230-400 mesh, EtOAc) to give a clear, viscous oil which crystallized on standing. Yield = 1.16 g (42%); MS(APCI), (M + 1)+ = 433. 1H-NMR (DMSO-d6, delta) 8.03 (d, 2H, J = 9.0 Hz), 7.53 (t, 1H, J =8.1, 7.8 Hz), 7.40 (t, 1H, J = 8.1, 7.3 Hz), 6.87 (d, 2H, J = 7.3 Hz), 3.69 (t, 2H, J = 5.9, 5.9 Hz), 3.26-3.43 (m, 6H), 2.46-2.78 (m, 12H), 1.78 (m, 2H). CHN: calculated for C25H28N4OS; C, 69.41%, H, 6.52%, N, 12.95%; found C, 69.28%, H, 6.60%, N, 12.65%.

As the rapid development of chemical substances, we look forward to future research findings about 87691-88-1

Reference£º
Patent; WARNER-LAMBERT COMPANY LLC; WO2004/26864; (2004); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

936-16-3,With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.936-16-3,2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide,as a common compound, the synthetic route is as follows.

Step 1. To a mixture of 6-methyl-2,4-dichloropyrimidine (162 mg, 0.994 mmol) and 1 (185 mg, 1.1 mmol) in anhydrous CH3CN (4 mL) was added K2CO3 (274 mg, 2 mmol), the mixture was stirred at 80¡ãC for 3 hrs. Concentration under reduced pressure resulted in 11 (130 mg), which was submitted to the next step without further purification.

936-16-3 2,3-Dihydrobenzo[d]isothiazole 1,1-dioxide 13638, aisothiazole compound, is more and more widely used in various fields.

Reference£º
Patent; NUMERATE, INC.; RAIMUNDO, Brian; KOLTUN, Elena S.; GRIFFIN, John; STANGELAND, Eric; (93 pag.)WO2018/49324; (2018); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

24340-77-0, 4-Bromoisothiazole is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

Intermediate 58: Methyl 6-(benzenesulphonylmethyl)-3-(isothiazol-4-yl)-2-methoxybenzoate[0588] A mixture of methyl 6-(benzenesulphonylmethyl)-2-methoxy-3-(4,4,5,5- tetramethyl-l,3,2-dioxaborolan-2-yl)benzoate (Intermediate 59, 0.15g), tri-tert-butyl- phosphinium tetrafluoroborate (O.Olg), cesium carbonate (0.34g), tris-(dibenzylideneacetone)- dipalladium (0.016g), and 4-bromoisothiazole (0.06g) in dioxane (3.2ml) and water (0.4ml) was degassed and then heated in the microwave at 120C for 20 minutes. After cooling, the mixture was diluted with ether, dried (MgS04) and filtered. The filtrate was evaporated to dryness and the residue was purified by chromatography on silica, eluting with a mixture of ethyl acetate and cyclohexane with a gradient of 0-60% to give crude methyl 6- (benzenesulphonylmethyl)-3-(isothiazol-4-yl)-2-methoxy-benzoate (0..044g) as an oil. The material was used without further purification or characterisation.

24340-77-0, The synthetic route of 24340-77-0 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; ZAFGEN CORPORATION; DYKE, Hazel, Joan; CRAMP, Susan, Mary; PALLIN, Thomas, David; KULAGOWSKI, Janusz, Jozef; MONTANA, John, Gary; ZAHLER, Robert; WO2011/44506; (2011); A2;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

27148-03-4, Benzo[d]isothiazole-3(2H)-thione 1,1-dioxide is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

27148-03-4, General procedure: Thiosaccharin (Htsac) (0.070 g, 0.353 mmol) in MeOH (5 cm3)was added to a suspension of 1 (0.150 g, 0.353 mmol) in CHCl3(8 cm3). The mixture was stirred for 3 h and refluxed on a steambath for 10 min. The orange-red solid thus formed was collected,washed with EtOH and dried in a vacuum oven (yield: 0.128 g,79%). Anal. Calc. for C14H8N2O3PdS3: C, 36.97; H, 1.77; N, 6.16.Found: C, 37.12; H, 1.96; N, 6.30%. IR (KBr); 3049w, 1632s,1562m, 1443m, 1423m, 1016m, 804m, 439m, 413m cm1. 1HNMR (d6-dmso): d 7.95 (d, J 8.1, 1H, tsac), 7.89-7.73 (m, 5H, tsac& bit), 7.6 (t, J 7.5, 1H, bit), 7.41 (t, J 7.5, 1H, bit) ppm.Decomposes at 282 C.

The synthetic route of 27148-03-4 has been constantly updated, and we look forward to future research findings.

Reference£º
Article; Al-Jibori, Subhi A.; Ahmed, Birgul S.M.; Ahmed, Safaa A.; Karada?, Ahmet; Schmidt, Harry; Wagner, Christoph; Hogarth, Graeme; Inorganica Chimica Acta; vol. 436; (2015); p. 7 – 15;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

7716-66-7, 3-Chlorobenzo[d]isothiazole is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated

7716-66-7, A solution of 3-chlorobenzo[d]isothiazole (1.0 g, 5.9 mmol) in chlorosulfonic acid (2 mL) was heated at 150 “C for 2.5h. The resulting reaction mixture was then cooled to room temperature and thionyl chloride (0.9 mL, 12.3 mmol) was added. The resulting yellow solution was heated at 150 “C for 2h, allowed to cool to room temperature and poured over ice. The aqueous reaction mixture was then extracted with ethyl acetate, dried over EPO anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give a pale yellow oil which crystallized into an off-white solid upon standing at -20 0C (1.43 g). MW=267 confirmed by LC-MS, t,.= 4.17 min (Method B) MH+=268.

As the paragraph descriping shows that 7716-66-7 is playing an increasingly important role.

Reference£º
Patent; RIGEL PHARMACEUTICALS, INC.; WO2006/91858; (2006); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

With the rapid development and complex challenges of chemical substances, new drug synthesis pathways are usually the most effective.288-16-4,Isothiazole,as a common compound, the synthetic route is as follows.

To a solution of isothiazole (5.0 g, 58.82 mmol) in AcOH (37 mL) was added Br2 (12.5 g, 78.12 mmol) dropwise at 95 oC over 20 min and the mixture was stirred for 6 h at 95 oC, then cooled to RT, and poured into ice water (100 mL). The resulting mixture was extracted with Et2O (200 mL x 2). The organic phases were washed with 6N NaOH to pH at 7~8, dried over anhydrous Na2SO4 and filtered. The filtrate was concentrated in vacuo, and the resulting residue was purified by distillation to afford 4-bromoisothiazole as a white solid (1.5 g, 15%)., 288-16-4

The synthetic route of 288-16-4 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; LYSOSOMAL THERAPEUTICS INC.; SKERLJ, Renato, T.; BOURQUE, Elyse Marie Josee; LANSBURY, Peter, T.; GREENLEE, William, J.; GOOD, Andrew, C.; (309 pag.)WO2017/176961; (2017); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com

87691-88-1, 3-Piperazinobenzisothiazole hydrochloride is a isothiazole compound, ?involved in a variety of chemical synthesis. Rlated chemical reaction is continuously updated,87691-88-1

EXAMPLE 6 3-[3-{2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl}-5-(2-{[(4-chlorophenyl)sulphonyl]amino}ethyl)-1H-indol-1-yl]propanoic Acid The expected product is obtained according to the procedure described in Example 1, with the replacement of 4-(4-fluorobenzoyl)piperidinium tosylate with 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride in Step b.

The synthetic route of 87691-88-1 has been constantly updated, and we look forward to future research findings.

Reference£º
Patent; Lavielle, Gilbert; Cimetiere, Bernard; Verbeuren, Tony; Simonet, Serge; Vayssettes-Courchay, Christine; US2003/109533; (2003); A1;,
Isothiazole – Wikipedia
Isothiazole – ScienceDirect.com