[ CAS No. 129849-05-4 ]

Name: 129849-05-4|2-Acetylphenyl trifluoromethanesulfonate|97%
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SKU: A1463786
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Quality Control of [ 129849-05-4 ]

COA NMR CNMR HPLC LC-MS

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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:	Ⅲ
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 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine In N,N-dimethyl-formamide at 80℃; for 2.5h;

Reference： [1]Cabri, Walter; Candiani, Ilaria; Bedeschi, Angelo; Penco, Sergio; Santi, Roberto [Journal of Organic Chemistry, 1992, vol. 57, # 5, p. 1481 - 1486]

2
[ 7486-35-3 ]
[ 129849-05-4 ]
[ 52095-40-6 ]

Yield	Reaction Conditions	Operation in experiment
90%	With lithium chloride In various solvent(s) for 2h; Ambient temperature;

Reference： [1]Farina, Vittorio; Baker, Stephen R.; Benigni, Daniel A.; Hauck, Sheila I.; Sapino, Chester [Journal of Organic Chemistry, 1990, vol. 55, # 23, p. 5833 - 5847]

3
[ 201230-82-2 ]
[ 129849-05-4 ]
[ 3453-63-2 ]

Yield	Reaction Conditions	Operation in experiment
94%	With triethylamine In N,N-dimethyl-formamide at 60℃; for 1h;

Reference： [1]Ciattini; Mastropietro; Morera; Ortar [Tetrahedron Letters, 1993, vol. 34, # 23, p. 3763 - 3766]

4
[ 358-23-6 ]
[ 118-93-4 ]
[ 129849-05-4 ]

Yield	Reaction Conditions	Operation 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;

Reference： [1]Tian, Yulin; Qi, Jianguo; Sun, Chenbin; Yin, Dali; Wang, Xiaojian; Xiao, Qiong [Organic and Biomolecular Chemistry, 2013, vol. 11, # 42, p. 7262 - 7266]
[2]Park, Chan Pil; Nagle, Advait; Cheol, Hwan Yoon; Chen, Chiliu; Kyung, Woon Jung [Journal of Organic Chemistry, 2009, vol. 74, # 16, p. 6231 - 6236]
[3]Seganish, W. Michael; DeShong, Philip [Journal of Organic Chemistry, 2004, vol. 69, # 4, p. 1137 - 1143]
[4]Farina, Vittorio; Baker, Stephen R.; Benigni, Daniel A.; Hauck, Sheila I.; Sapino, Chester [Journal of Organic Chemistry, 1990, vol. 55, # 23, p. 5833 - 5847]
[5]Ciattini; Mastropietro; Morera; Ortar [Tetrahedron Letters, 1993, vol. 34, # 23, p. 3763 - 3766]
[6]Coe, Jotham W.; Bianco, Krista E.; Boscoe, Brian P.; Brooks, Paige R.; Cox, Eric D.; Vetelino, Michael G. [Journal of Organic Chemistry, 2003, vol. 68, # 26, p. 9964 - 9970]
[7]Location in patent: experimental part Kitamura, Mitsuru; Moriyasu, Yohei; Okauchi, Tatsuo [Synlett, 2011, # 5, p. 643 - 646]
[8]Ortar, Giorgio; Schiano Moriello, Aniello; Morera, Enrico; Nalli, Marianna; Di Marzo, Vincenzo; De Petrocellis, Luciano [Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 20, p. 5614 - 5618]

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 ]

Yield	Reaction Conditions	Operation in experiment
50%	With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene In N,N-dimethyl-formamide at 80℃; for 5h;

Reference： [1]Badone, Domenico; Guzzi, Umberto [Tetrahedron Letters, 1993, vol. 34, # 22, p. 3603 - 3606]

6
triethylammonium bis(1,2-benzenediolato)phenylsilicate [ No CAS ]
[ 129849-05-4 ]
[ 2142-66-7 ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 1137 - 1143

7
[ 129849-05-4 ]
trifluoro-methanesulfonic acid 1-(2-hydroxy-phenyl)-vinyl ester [ No CAS ]

Yield	Reaction Conditions	Operation 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;

Reference： [1]Coe, Jotham W.; Bianco, Krista E.; Boscoe, Brian P.; Brooks, Paige R.; Cox, Eric D.; Vetelino, Michael G. [Journal of Organic Chemistry, 2003, vol. 68, # 26, p. 9964 - 9970]
[2]Coe, Jotham W.; Bianco, Krista E.; Boscoe, Brian P.; Brooks, Paige R.; Cox, Eric D.; Vetelino, Michael G. [Journal of Organic Chemistry, 2003, vol. 68, # 26, p. 9964 - 9970]

8
[ 129849-05-4 ]
[ 577-56-0 ]

Yield	Reaction Conditions	Operation in experiment
93%	With pyridine; 1,1'-bis-(diphenylphosphino)ferrocene at 150℃; for 0.333333h; microwave irradiation;

Reference： [1]Lesma, Giordano; Sacchetti, Alessandro; Silvani, Alessandra [Synthesis, 2006, # 4, p. 594 - 596]

9
[ 129849-05-4 ]
[ 704-00-7 ]

Yield	Reaction Conditions	Operation 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

Reference： [1]Cabri, Walter; Candiani, Ilaria; Bedeschi, Angelo; Penco, Sergio; Santi, Roberto [Journal of Organic Chemistry, 1992, vol. 57, # 5, p. 1481 - 1486]

10
[ 97-94-9 ]
[ 129849-05-4 ]
[ 2142-64-5 ]

Yield	Reaction Conditions	Operation in experiment
62%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate In tetrahydrofuran Reflux; Inert atmosphere;

Reference： [1]Location in patent: experimental part Wang, Bing; Sun, Hui-Xia; Sun, Zhi-Hua [European Journal of Organic Chemistry, 2009, # 22, p. 3688 - 3692]

11
[ 129849-05-4 ]
2'-deuterioacetophenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With dideuterioformic acid; palladium diacetate; triethylamine; triphenylphosphine In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere;

Reference： [1]Park, Chan Pil; Nagle, Advait; Cheol, Hwan Yoon; Chen, Chiliu; Kyung, Woon Jung [Journal of Organic Chemistry, 2009, vol. 74, # 16, p. 6231 - 6236]

12
[ 129849-05-4 ]
[ 1202458-02-3 ]

Yield	Reaction Conditions	Operation 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

Reference： [1]Kitamura, Mitsuru; Moriyasu, Yohei; Okauchi, Tatsuo [Synlett, 2011, # 5, p. 643 - 646]

13
[ 129849-05-4 ]
[ 1309688-89-8 ]

Yield	Reaction Conditions	Operation 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

Reference： [1]Kitamura, Mitsuru; Moriyasu, Yohei; Okauchi, Tatsuo [Synlett, 2011, # 5, p. 643 - 646]

14
[ 129849-05-4 ]
[ 1309688-79-6 ]

Yield	Reaction Conditions	Operation 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

Reference： [1]Kitamura, Mitsuru; Moriyasu, Yohei; Okauchi, Tatsuo [Synlett, 2011, # 5, p. 643 - 646]

15
[ 129849-05-4 ]
[ 536-74-3 ]
[ 171258-08-5 ]

Yield	Reaction Conditions	Operation in experiment
	With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; tetrabutylammomium bromide; triethylamine In N,N-dimethyl-formamide Heating;

Reference： [1]Location in patent: experimental part Kitamura, Mitsuru; Moriyasu, Yohei; Okauchi, Tatsuo [Synlett, 2011, # 5, p. 643 - 646]

16
[ 129849-05-4 ]
[ 536-74-3 ]
[ 1372620-28-4 ]

Yield	Reaction Conditions	Operation in experiment
38%	With copper(l) iodide; trans-bis(triphenylphosphine)palladium dichloride; oxygen; triphenylphosphine In morpholine at 80℃; for 12h;

Reference： [1]Chen, Xiaopeng; Jin, Jisong; Wang, Ningning; Lu, Ping; Wang, Yanguang [European Journal of Organic Chemistry, 2012, # 4, p. 824 - 830]

17
[ 110-89-4 ]
[ 129849-05-4 ]
[ 536-74-3 ]
[ 1372619-86-7 ]

Yield	Reaction Conditions	Operation in experiment
76%	With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; water at 80℃; for 12h; Inert atmosphere;

Reference： [1]Chen, Xiaopeng; Jin, Jisong; Wang, Ningning; Lu, Ping; Wang, Yanguang [European Journal of Organic Chemistry, 2012, # 4, p. 824 - 830]

18
[ 129849-05-4 ]
[ 12539-63-8 ]
[ 3453-63-2 ]

Yield	Reaction Conditions	Operation 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.

Reference： [1]Ortar, Giorgio; Schiano Moriello, Aniello; Morera, Enrico; Nalli, Marianna; Di Marzo, Vincenzo; De Petrocellis, Luciano [Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 20, p. 5614 - 5618]

19
[ 122-79-2 ]
[ 129849-05-4 ]

Yield	Reaction Conditions	Operation 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 ]

Yield	Reaction Conditions	Operation in experiment
62%	With 1,3-bis-(diphenylphosphino)propane; sodium acetate; palladium diacetate In ethylene glycol at 120℃; for 12h; Inert atmosphere;

Reference： [1]Tian, Yulin; Qi, Jianguo; Sun, Chenbin; Yin, Dali; Wang, Xiaojian; Xiao, Qiong [Organic and Biomolecular Chemistry, 2013, vol. 11, # 42, p. 7262 - 7266]

21
[ 61117-58-6 ]
[ 129849-05-4 ]
[ 577-56-0 ]

Yield	Reaction Conditions	Operation 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;

Reference： [1]Joseph, Jayan T.; Sajith, Ayyiliath M.; Ningegowda, Revanna C.; Shashikanth, Sheena [Advanced Synthesis and Catalysis, 2017, vol. 359, # 3, p. 419 - 425]

22
[ 15226-74-1 ]
[ 64-17-5 ]
[ 129849-05-4 ]
[ 103935-10-0 ]

Reference： [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 419 - 425

23
[ 542-69-8 ]
[ 129849-05-4 ]
[ 58632-85-2 ]

Yield	Reaction Conditions	Operation 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

Reference： [1]Sumida, Yuto; Sumida, Tomoe; Hosoya, Takamitsu [Synthesis, 2017, vol. 49, # 16, p. 3590 - 3601]

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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.
P103	Read label before use
Prevention
Code	Phrase
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P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
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.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
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P260	Do not breathe dust/fume/gas/mist/vapours/spray.
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Response
Code	Phrase
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P322
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P337 + P313	IF eye irritation persists: Get medical advice/attention.
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P401
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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
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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
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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

[ CAS No. 129849-05-4 ]

Quality Control of [ 129849-05-4 ]

Related Doc. of [ 129849-05-4 ]

Product Details of [ 129849-05-4 ]

Safety of [ 129849-05-4 ]

Application In Synthesis of [ 129849-05-4 ]

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

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry