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[ CAS No. 129849-05-4 ]

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Cat. No.: {[proInfo.prAm]}
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Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
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Chemical Structure| 129849-05-4
Chemical Structure| 129849-05-4
Structure of 129849-05-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 129849-05-4 ]

CAS No. :129849-05-4 MDL No. :N/A
Formula : C9H7F3O4S Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :268.21 g/mol Pubchem ID :-
Synonyms :

Safety of [ 129849-05-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 UN#:3265
Hazard Statements:H314-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 129849-05-4 ]

  • Downstream synthetic route of [ 129849-05-4 ]

[ 129849-05-4 ] Synthesis Path-Downstream   1~23

  • 1
  • [ 111-34-2 ]
  • [ 129849-05-4 ]
  • 1-[2-(1-Butoxy-vinyl)-phenyl]-ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine In N,N-dimethyl-formamide at 80℃; for 2.5h;
  • 2
  • [ 7486-35-3 ]
  • [ 129849-05-4 ]
  • [ 52095-40-6 ]
YieldReaction ConditionsOperation in experiment
90% With lithium chloride In various solvent(s) for 2h; Ambient temperature;
  • 3
  • [ 201230-82-2 ]
  • [ 129849-05-4 ]
  • [ 3453-63-2 ]
YieldReaction ConditionsOperation in experiment
94% With triethylamine In N,N-dimethyl-formamide at 60℃; for 1h;
  • 4
  • [ 358-23-6 ]
  • [ 118-93-4 ]
  • [ 129849-05-4 ]
YieldReaction ConditionsOperation in experiment
98% With pyridine at 0 - 20℃; for 12h;
95% With pyridine for 12h; Inert atmosphere;
91% With pyridine at 20℃; for 12h;
78% With pyridine Ambient temperature;
74% With 2,6-di-tert-butyl-4-methylpyridine In dichloromethane 1) 0 deg C, 2) r.t., overnight;
With pyridine In dichloromethane at -78 - 20℃;
With pyridine; dmap In dichloromethane Cooling;
With 2,6-di-tert-butyl-4-methylpyridine In dichloromethane at 20℃; for 16h;

  • 5
  • [ 129849-05-4 ]
  • [ 150986-07-5 ]
  • 1-{2-[1-(2-Diphenylphosphanyl-ethoxy)-vinyl]-phenyl}-ethanone [ No CAS ]
  • 1-{2-[(E)-2-(2-Diphenylphosphanyl-ethoxy)-vinyl]-phenyl}-ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In N,N-dimethyl-formamide at 80℃; for 5h;
  • 6
  • triethylammonium bis(1,2-benzenediolato)phenylsilicate [ No CAS ]
  • [ 129849-05-4 ]
  • [ 2142-66-7 ]
  • 7
  • [ 129849-05-4 ]
  • trifluoro-methanesulfonic acid 1-(2-hydroxy-phenyl)-vinyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 20℃; for 0.3h;
97% With potassium <i>tert</i>-butylate In tetrahydrofuran at 0℃; for 0.5h;
  • 8
  • [ 129849-05-4 ]
  • [ 577-56-0 ]
YieldReaction ConditionsOperation in experiment
93% With pyridine; 1,1'-bis-(diphenylphosphino)ferrocene at 150℃; for 0.333333h; microwave irradiation;
  • 9
  • [ 129849-05-4 ]
  • [ 704-00-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: Et3N / 1,3-bis(diphenylphosphino)propane / Pd(OAc)2 / dimethylformamide / 2.5 h / 80 °C 2: 5percent HCl / 0.5 h
  • 10
  • [ 97-94-9 ]
  • [ 129849-05-4 ]
  • [ 2142-64-5 ]
YieldReaction ConditionsOperation in experiment
62% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate In tetrahydrofuran Reflux; Inert atmosphere;
  • 11
  • [ 129849-05-4 ]
  • 2'-deuterioacetophenone [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% With dideuterioformic acid; palladium diacetate; triethylamine; triphenylphosphine In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere;
  • 12
  • [ 129849-05-4 ]
  • [ 1202458-02-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; triethylamine / N,N-dimethyl-formamide / Heating 2: pyridine; hydroxylamine hydrochloride / Heating
  • 13
  • [ 129849-05-4 ]
  • [ 1309688-89-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; triethylamine / N,N-dimethyl-formamide / Heating 2: pyridine; hydroxylamine hydrochloride / Heating 3: triethylamine / dichloromethane / Cooling 4: tetrakis(triphenylphosphine) palladium(0); sodium formate; N-ethyl-N,N-diisopropylamine / acetonitrile / 1.5 h / 60 °C / Inert atmosphere
  • 14
  • [ 129849-05-4 ]
  • [ 1309688-79-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; triethylamine / N,N-dimethyl-formamide / Heating 2: pyridine; hydroxylamine hydrochloride / Heating 3: triethylamine / dichloromethane / Cooling
  • 15
  • [ 129849-05-4 ]
  • [ 536-74-3 ]
  • [ 171258-08-5 ]
YieldReaction ConditionsOperation in experiment
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); tetrabutylammomium bromide; triethylamine In N,N-dimethyl-formamide Heating;
  • 16
  • [ 129849-05-4 ]
  • [ 536-74-3 ]
  • [ 1372620-28-4 ]
YieldReaction ConditionsOperation in experiment
38% With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; oxygen; triphenylphosphine In morpholine at 80℃; for 12h;
  • 17
  • [ 110-89-4 ]
  • [ 129849-05-4 ]
  • [ 536-74-3 ]
  • [ 1372619-86-7 ]
YieldReaction ConditionsOperation in experiment
76% With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); water at 80℃; for 12h; Inert atmosphere;
  • 18
  • [ 129849-05-4 ]
  • [ 12539-63-8 ]
  • [ 3453-63-2 ]
YieldReaction ConditionsOperation in experiment
With 1,3-bis-(diphenylphosphino)propane; palladium diacetate; triethylamine In N,N-dimethyl-formamide at 60℃; General procedure for the synthesis of compounds 4. General procedure: Method A (for triflates 3a-k, q): a mixture of triflate 3 (1 mmol), Et3N (0.28mL, 2mmol), Pd(OAc)2 (7mg, 0.03mmol), and 1,3-bis(diphenylphosphino)propane (12mg, 0.03mmol) in DMF (3mL) was purged with carbon monoxide for 5min and then stirred under a CO balloon at 60°C for 1-4h. The reaction mixture was then diluted with brine and extracted with AcOEt, washed twice with brine, dried (Na2SO4), and evaporated under vacuum. The residue was purified by silica gel column chromatography eluting with light petroleum/AcOEt mixtures. Method B (for triflates 3l-p): a mixture of triflate 3 (1mmol), K2CO3 (138mg, 1mmol), Pd(OAc)2 (22mg, 0.1mmol), and 1,3-bis(diphenylphosphino)propane (41mg, 0.1mmol) in toluene (6mL) was purged with carbon monoxide for 5min and then stirred under a CO balloon at 100°C for 2-4h. The reaction mixture was then worked-up as in method A.
  • 19
  • [ 122-79-2 ]
  • [ 129849-05-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aluminum (III) chloride / 1 h / 100 °C 2: 2,6-di-tert-butyl-4-methylpyridine / dichloromethane / 16 h / 20 °C
  • 20
  • [ 78888-18-3 ]
  • [ 129849-05-4 ]
  • [ 1721-95-5 ]
YieldReaction ConditionsOperation in experiment
62% With 1,3-bis-(diphenylphosphino)propane; sodium acetate; palladium diacetate In ethylene glycol at 120℃; for 12h; Inert atmosphere;
  • 21
  • [ 61117-58-6 ]
  • [ 129849-05-4 ]
  • [ 577-56-0 ]
YieldReaction ConditionsOperation in experiment
85% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane; water at 20℃; for 16h; Schlenk technique; Inert atmosphere; chemoselective reaction;
  • 22
  • [ 15226-74-1 ]
  • [ 64-17-5 ]
  • [ 129849-05-4 ]
  • [ 103935-10-0 ]
  • 23
  • [ 542-69-8 ]
  • [ 129849-05-4 ]
  • [ 58632-85-2 ]
YieldReaction ConditionsOperation in experiment
39% With nickel(II) bromide dimethoxyethane; manganese; bathophenanthroline; lithium bromide In N,N-dimethyl-formamide at 20 - 40℃; Inert atmosphere; 2-Butyl Naphthalene (2a); Typical Procedure for Nickel-Catalyzed Reductive Alkylation of Aryl Sulfonates with Alkyl Iodides General procedure: To a suspension of NiBr2·glyme (3.1 mg, 10 μmol), bathophenanthroline (3.9 mg, 12 μmol), manganese (22 mg, 0.40 mmol), and LiBr (26mg, 0.30 mmol) in DMF (0.4 mL) were added 2-naphthyl nonaflate (3a; 85.3 mg, 0.200 mmol) and 1-iodobutane (34.2 μL, 0.300 mmol) at r.t. After stirring for 14 h at 40 °C, the mixture was cooled to r.t. and to this was added aqueous phosphate buffer (pH 7.4, ca. 2 mL). The mixturewas extracted with Et2O (3 × ca. 2 mL) and the combined organic extracts were dried (Na2SO4) and filtered. The filtrate was concentrated under reduced pressure. The residue was purified by chromatography (silica gel, n-hexane) to give 2a
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