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Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
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* Storage: {[proInfo.prStorage]}
CAS No. : | 653-35-0 | MDL No. : | MFCD00040864 |
Formula : | C7H2ClF5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZLNVRXFZTPRLIK-UHFFFAOYSA-N |
M.W : | 216.54 | Pubchem ID : | 69557 |
Synonyms : |
|
Signal Word: | Danger | Class: | 8,6.1 |
Precautionary Statements: | P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501 | UN#: | 2922 |
Hazard Statements: | H301-H311-H331-H314 | Packing Group: | Ⅱ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In toluene; at 80℃; for 18h; | Example 4: Catal st preparation: 2,3.4.5.6-pentafluorophenyl-methyl quininium chlorideA solution of l-chloromethyl-2,3,4,5,6-pentafiuorobenzene (0.42 g) and quinine (0.50 g) in toluene (9 ml) was heated at 80C for 18 hours. The reaction mixture was poured in diethyl ether and then filtrate to afford the title product as a pale yellow solid (0.3g). LCMS (method G) 1.10 min, M+ 505; 1H NMR (400 MHz, CDC13) 8.78 (d, 1H), 7.95 (d, 1H), 7.78 (d, 1H), 7.31 (dd, 1H), 7.21(d, 1H), 6.75 (s, 1H), 6.25 (d, 1H), 5.50 (m, 1H), 5.00(m, 2H), 4.88 (d, 1H), 3.98 (s, 3H). 19F NMR (376 MHz, CDC13) -132.67 (s, IF), -146.60(s, 2F), -158.28(s, 2F). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
90%Chromat. | With potassium carbonate; In N,N-dimethyl-formamide; at 22℃; for 4.5h; | A mixture of 1.01 g (5.05 mmol) of thiol 1b, 1.10 g (5.08 mmol) of compound 15, and 0.70 g(5.07 mmol) of K2CO3 in 10 mL of DMF was stirred for 4.5 h at 22C and treated as described above. We obtained 1.85 g of white precipitate containing according to GC-MS data 94% of compound 16. Yield 90%. Colorless crystals, mp 69-70C (EtOH). IR spectrum,ν, cm-1: 1659, 1641, 1524, 1506, 1485, 1433, 1310,1126, 1097, 993, 978, 883, 864. 1H NMR spectrum, δ,ppm: 4.05 br.s (CH2). 19F NMR spectrum, δ, ppm: 0.9m (2F), 1.7 m (2F), 8.5 t (1F, J 20 Hz), 12.0 t.t (1F,J 20.3 Hz), 18.1 m (2F), 29.9 m (2F). Found, %:C 41.24; H 0.64; F 49.91; S 8.28. [M]+ 379.9715.C12H2F10S. Calculated, %: C 41.07; H 0.53; F 49.97; S8.43. [M]+ 379.9712. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With N-benzyl-N,N,N-triethylammonium chloride; sodium carbonate; In N,N-dimethyl-formamide; at 60℃; for 10h;pH 8.0; | Add to the kettle7-cyano-2,3,4,5-tetrahydro-1,5-methylene bridge -1H-3- benzazepine 18.4g (0.1mol),N, N-dimethylformamide, 200 ml,Benzyltriethylammonium chloride 0.25 g,<strong>[653-35-0]2,3,4,5,6-<strong>[653-35-0]pentafluorobenzyl chloride</strong></strong> (21.7 g, 0.1 mol)Add sodium carbonate 25g to adjust the pH to 8,Heating up to 60 incubation reaction 10h,Cooling to room temperature,Filter,30 ml of N, N-dimethylformamide washing cake,Filtrate negative pressure removal solvent N, N-dimethylformamide,Kettle residue plus methanol 80ml recrystallization,Filtration and drying gave 27.3 g of the title compound,Yield of about 75%.Purity of more than 98%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71.4% | With N-benzyl-N,N,N-triethylammonium chloride; sodium carbonate; In acetone; for 6h;pH 9.0;Reflux; | To a reaction kettle was added 5-trifluoromethyl-6,7,8,9-tetrahydro-6,10-methyl-6H-pyrazino [2,3-h] [3] benzazepine 27.9 g (0.1 mol), Acetone 200ml, Benzyl triethylammonium chloride 0.30 g, 2-chloro-5-chloromethylpyridine 16.2g (0.1 mol), Add sodium carbonate 25g to adjust the pH to 9, Heated to reflux reaction 6h, Cooling to room temperature, Filter, 30ml acetone washing filter cake, Filtrate negative pressure removal solvent, Kettle residue plus ethanol 100ml recrystallization, And dried by filtration to give the title compound (32.8 g) Yield of about 71.4%. Purity of more than 98%. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
86% | With potassium iodide; In tetrahydrofuran; at 20℃; for 24h;Inert atmosphere; | General procedure: The BTA derivatives were obtained by the following general procedure: A suspension of2-mercaptoBTA (1.0 eq) and K2CO3 (1.1 eq) in THF, where the corresponding benzyl chloride (1.1eq) was added dropwise and, thereafter, a catalytic amount of KI was added. The reaction mixturewas stirred at room temperature for 24 h. The course of the reaction was monitored by thin-layerchromatography. Over time, the reaction mixture was filtered and washed with CH2Cl2 (3 20 mL).The organic filtrate was washed with brine (20 mL), dried with anhydrous Na2SO4, and evaporated invacuo to give solids, in most of cases, which were purified by recrystallization from hexane: AcOEt 9:1to aord amorphous solids. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
8% | With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 48h; | General procedure: 2-(N-(4-Sulfamoylphenyl)sulfamoyl)ethanamine HCl salt C1(1.0 equiv.) or 4-(2-((2-aminoethyl)sulfonamido)ethyl)benzenesulfonamideHCl salt C2 (1.0 equiv.), the appropriate benzyl chloride(1.0 equiv.) and Cs2CO3 (1.0 equiv.) were dissolved in drydimethylformamide (DMF, 8.0 ml) and stirred at r.t. for 48 h. Once the reaction was finished (TLC monitoring), the mixture wasfiltered and the solvent was evaporated under vacuum. Theresulting crude products were purified by silica gel column chromatographyeluting with the appropriate solvent system to affordthe titled compounds D1-D17. |
8% | With caesium carbonate; In N,N-dimethyl-formamide; at 20℃; for 48h; | General procedure: 2-(N-(4-Sulfamoylphenyl)sulfamoyl)ethanamine HCl salt C1 (1.0 equiv.) or 4-(2-((2-amino ethyl)sulfonamido)ethyl)benzenesulfonamide HCl salt C2 (1.0 equiv.), the appropriate benzyl chloride (1.0 equiv.) and Cs2CO3 (1.0 equiv.) were dissolved in dry dimethylformamide (DMF, 8.0 ml) and stirred at r.t. for 48 hrs. Once the reaction was nished (TLC monitoring), the mixture was filtered and the solvent was evaporated under vacuum. The resulting crude products were purified by silica gel column chromatography eluting with the appropriate solvent system to afford the titled compounds D1-D17. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
43% | With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 6h; | General procedure: To a solution of isatin-5-sulfonamide (9, 0.18g, 0.80mmol) and K2CO3 (0.33g, 2.4mmol) in DMF (5mL) benzyl chloride (0.13g, 1.04mmol) was added at room temperature. The mixture was stirred for 6h. Then, cold water (30mL) was added to the solution. The mixture was adjusted to pH 4-5 with 2M HCl and extracted with EtOAc (3×15mL). Organic phases were combined, dried over Na2SO4 and concentrated under reduced pressure. The residue was purified by column chromatography (silica gel, EtOAc toluene 1:2) to afford 183mg of 5a (yield: 51%). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With potassium hydrogencarbonate; In acetone; at 70℃; for 12h; | Add the weighed 0.20mmol compound 1a, 0.22mmol 2e and 0.9mmol potassium bicarbonate successively to the reaction flask, then add 2mL acetone, the reaction is stirred at 70 C under reflux for 12 hours, after the reaction is completed, water is added to quench the reaction, and Dilute with 5 mL of ethyl acetate, wash with 5 mL of saturated brine, dry the organic phase with anhydrous magnesium sulfate, spin dry and recrystallize with dichloromethane/n-hexane system to obtain intermediate 3e. Subsequently, the intermediate 3e obtained by recrystallization, 10 mmol of hydrazine hydrate and 2 mL of ethanol were added to the reaction flask, and the reaction was stirred at 80C under reflux for 4 hours. Wash with saturated brine, dry the organic phase with anhydrous magnesium sulfate, spin dry and recrystallize with dichloromethane/n-hexane system to obtain product 5e (IC50=115 μM) as 52 mg of white solid. |
Tags: 653-35-0 synthesis path| 653-35-0 SDS| 653-35-0 COA| 653-35-0 purity| 653-35-0 application| 653-35-0 NMR| 653-35-0 COA| 653-35-0 structure
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Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
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Code | Phrase |
P201 | Obtain special instructions before use. |
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P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
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P240 | Ground/bond container and receiving equipment. |
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P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
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P285 | In case of inadequate ventilation wear respiratory protection. |
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P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
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P311 | Call a POISON CENTER or doctor/physician. |
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P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
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P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
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P322 | |
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P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
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P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
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P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
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P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
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P411 + P235 | Keep cool. |
Disposal | |
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Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
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