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[ CAS No. 82964-04-3 ] {[proInfo.proName]}

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Chemical Structure| 82964-04-3
Chemical Structure| 82964-04-3
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Product Details of [ 82964-04-3 ]

CAS No. :82964-04-3 MDL No. :MFCD00864170
Formula : C16H14F3NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 357.35 Pubchem ID :-
Synonyms :
AY-27773
Chemical Name :N-(6-Methoxy-5-(trifluoromethyl)naphthalene-1-carbonothioyl)-N-methylglycine

Safety of [ 82964-04-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 82964-04-3 ]

* 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.

  • Downstream synthetic route of [ 82964-04-3 ]

[ 82964-04-3 ] Synthesis Path-Downstream   1~24

  • 1
  • [ 82964-04-3 ]
  • [ 84532-72-9 ]
  • [ 129357-52-4 ]
  • [ 129357-51-3 ]
  • [ 84533-47-1 ]
YieldReaction ConditionsOperation in experiment
at 120℃; for 240h;
  • 2
  • [ 82964-04-3 ]
  • [ 84532-72-9 ]
  • [ 84533-47-1 ]
YieldReaction ConditionsOperation in experiment
at 120℃; for 240h;
  • 3
  • [ 82964-04-3 ]
  • [ 129357-52-4 ]
  • [ 129357-51-3 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride In methanol at 80℃; for 40h; var. pH, temp. time; ln A, Ea, ΔS(excit.);
  • 4
  • [ 82964-04-3 ]
  • [ 129357-51-3 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide at 90℃; for 96h;
  • 5
  • [ 82964-04-3 ]
  • [ 129357-51-3 ]
  • [ 84533-47-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide In methanol at 80℃; for 96h; var. pH, temp. time; ln A, Ea, ΔS(excit.);
  • 6
  • [ 82964-04-3 ]
  • [ 135100-59-3 ]
YieldReaction ConditionsOperation in experiment
25.2% With hydrogen bromide; acetic acid at 45℃; for 84h;
  • 7
  • [ 82964-04-3 ]
  • [ 114664-94-7 ]
YieldReaction ConditionsOperation in experiment
86.1% With potassium phthalate buffer; dihydrogen peroxide In dichloromethane at 0℃; for 24h;
  • 8
  • [ 84533-04-0 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide
YieldReaction ConditionsOperation in experiment
at 25℃; rotational isomerism; effect of buffer concentration, pH, ionic strength, dielectric constant, temperature; Ea, ΔH(exit.), ΔS(exit.);
  • 10
  • [ 61109-48-6 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 7 steps 1: 87 percent / I2, HIO3, H2SO4 / acetic acid 2: 93 percent / Cu / pyridine / 20 h / 120 °C 3: hydrolysis 4: SOCl2 6: P2S5 / Heating 7: KOH
  • 11
  • [ 85674-78-8 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: 55 percent / KMnO4 2: SOCl2 4: P2S5 / Heating 5: KOH
Multi-step reaction with 7 steps 1: NBS 2: Sommelet reaction 3: KMnO4 4: SOCl2 6: P2S5 / Heating 7: KOH
  • 12
  • [ 84532-72-9 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: SOCl2 3: P2S5 / Heating 4: KOH
  • 13
  • [ 92121-27-2 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 2: P2S5 / Heating 3: KOH
  • 14
  • [ 84532-68-3 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: 93 percent / Cu / pyridine / 20 h / 120 °C 2: hydrolysis 3: SOCl2 5: P2S5 / Heating 6: KOH
  • 15
  • [ 88245-15-2 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: KMnO4 2: SOCl2 4: P2S5 / Heating 5: KOH
  • 16
  • [ 88245-14-1 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: Sommelet reaction 2: KMnO4 3: SOCl2 5: P2S5 / Heating 6: KOH
  • 17
  • [ 84532-73-0 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: hydrolysis 2: SOCl2 4: P2S5 / Heating 5: KOH
  • 18
  • [ 84533-46-0 ]
  • [ 82964-04-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: P2S5 / Heating 2: KOH
  • 19
  • [ 82964-04-3 ]
  • [ 135100-60-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 25.2 percent / 40percent aq. HBr, AcOH / 84 h / 45 °C 2: 66.1 percent / 3-chloroperoxybenzoic acid / CH2Cl2; tetrahydrofuran / 3 h
  • 20
  • [ 82964-04-3 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 25.2 percent / 40percent aq. HBr, AcOH / 84 h / 45 °C 2: 66.1 percent / 3-chloroperoxybenzoic acid / CH2Cl2; tetrahydrofuran / 3 h 3: 17.4 percent / liquid SO3 / dioxane; CH2Cl2 / 0 °C
  • 21
  • [ 82964-04-3 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 25.2 percent / 40percent aq. HBr, AcOH / 84 h / 45 °C 2: 15.9 percent / liquid SO3 / dioxane; CH2Cl2 / -78 °C
  • 22
  • [ 7722-84-1 ]
  • [ 82964-04-3 ]
  • [ 114664-94-7 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane 1 N-[[6-Methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methylglycine S-oxide EXAMPLE 1 N-[[6-Methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methylglycine S-oxide [(I), R=--OH] To a 0° C. solution of N-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methylglycine, (tolrestat) (2.0 g, 5.6 mmol, prepared by the procedure of U.S. Pat. No. 4,439,617) in CH2 Cl2 (100 mL) was added potassium phthalate buffer pH=4 (20 mL), followed after 10 minutes by H2 O2 (30%, 30 mL). After stirring vigorously for 24 hours, the mixture was cooled to -20° C. for 30 minutes and the precipiated solid was filtered and recrystallized from acetone/H2 O (at 0° C.) to yield a white solid, m.p. 156°-157° C. (1.8 g, 86.1%). IR (KBr, cm-1): 2800-2200 (br), 1750 (s), 1610 (s), 1530 (s), 1510 (s), 1080 (s), 880 (s). NMR (DMSO-d6, 200 MHz) δ 2.67 (s, 3H, N--CH3), 4.07 (s, 3H, --OCH3), 4.7 (d, Jab=17.2 Hz, 1H), 5.95 (d, Jab=17.2 Hz, 1H), 7.46 (d, J=6.6 Hz, 1H, ArH), 7.7 (dd, J=9.0 Hz, 1H, ArH), 7.79 (d, J=9.0 Hz, 1H, Ar--H), 8.24 (m, 1H, ArH), 8.76 (d, J=9.6 Hz, 1H, Ar--H). MS: (m/e) 373 (M+), 357 (M+ -O), 253 (M+ -S, -sarcosine). Anal. Calcd: C, 51.50; H, 3.78; N, 3.75%. Found: C, 51.20; H, 3.71; N, 3.74%.
  • 23
  • [ 420-04-2 ]
  • [ CAS Unavailable ]
  • [ 82964-04-3 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
With triethyloxonium fluoroborate In ethanol; dichloromethane; water 1 N-[(Cyanoimino)[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]methyl]-N-methylglycine, Methyl Ester EXAMPLE 1 N-[(Cyanoimino)[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]methyl]-N-methylglycine, Methyl Ester [(VI): R=--CN and R1 =--CH3 ] Triethyloxonium tetrafluoroborate (1M in dichloromethane, 24 mL, 24 mmol) was added to N-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-N-methylglycine, methyl ester [(II), R1 =--CH3; 8.0 g, 21.6 mmol, described in U.S. Pat. No. 4,568,693 (Example 23)], and the solution was stirred at reflux temperature under a dry nitrogen atmosphere for four days. The reaction mixture was cooled to room temperature and the dichloromethane was removed in vacuo. The remaining brown thick oil was triturated with anhydrous diethyl ether. The ether triturate was discarded. To the remaining material, ethanol (200 mL), cyanamide [(IV), R=--CN; 3.63 g, 86.4 mmol], and saturated aqueous sodium bicarbonate were added. The pH of the reaction mixture was adjusted to 8-9 with 20% aqueous sodium hydroxide and the reaction mixture was stirred at room temperature for one hour. The ethanol was removed in vacuo and water (100 mL) was added. This aqueous emulsion was extracted with ethyl ether (4*100 mL). The combined ether extracts were dried (MgSO4) and the solvent was removed in vacuo. The remaining oil was flash chromatographed (19:1 dichloromethane:acetonitrile eluent, silica gel) to give 3.49 g of product as an oil. NMR (CDC3, 200 MHz, mixture of rotamers in 3.3:1 ratio; major isomer reported first): δ2.87, 3.37 (2s, 3H, NCH3), 3.89, 3.63 (2s, 3H, CO2 CH3), 4.02 (s, 3H, OCH3), 4.06 (d, 1H, J=17 Hz, --NCH1 H2 CO2 CH3), 4.89 (d, 1H, J=17 Hz, NCH1 H2 CO2 CH3), 7.25-8.4 (m, 5H, ArH) IR (CHCl3, cm-1): 2200 (CN), 1745 (CO2 CH3), 1560 (C=N) MS: (m/e) 379 (M30, 62%), 320 (20%), 277 (100%)
YieldReaction ConditionsOperation in experiment
Preferred are pharmaceutical preparations containing at least one substituted 2-phenylbenzimidazole of formula IA or IA1 as well as an active substance selected from among: ... repaglinide, rosiglitazone, sirolimus, sorbinil, tolrestat, troglitazone, voglibose, zenarestat and ...
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