[ CAS No. 455-32-3 ] {[proInfo.proName]}

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Quality Control of [ 455-32-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 455-32-3 ]

Product Details of [ 455-32-3 ]

CAS No. :	455-32-3	MDL No. :	MFCD00000364
Formula :	C₇H₅FO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	124.11	Pubchem ID :	-
Synonyms :

Safety of [ 455-32-3 ]

Signal Word:	Danger	Class:	8,3
Precautionary Statements:	P501-P240-P210-P233-P234-P243-P241-P242-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405	UN#:	2920
Hazard Statements:	H314-H226-H290	Packing Group:	Ⅱ
GHS Pictogram:

Application In Synthesis of [ 455-32-3 ]

* 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.

Upstream synthesis route of [ 455-32-3 ]
Downstream synthetic route of [ 455-32-3 ]

[ 455-32-3 ] Synthesis Path-Upstream 1~3

1
[ 1953-99-7 ]
[ 455-32-3 ]
[ 1835-65-0 ]

Reference： [1] Patent: US6392084, 2002, B1, . Location in patent: Page column 15,16
[2] Patent: US6392084, 2002, B1, . Location in patent: Page column 16

2
[ 455-32-3 ]
[ 536-74-3 ]
[ 448-61-3 ]

Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, vol. 19, # 11, p. 1245[2] Khimiya Geterotsiklicheskikh Soedinenii, 1983, # 11, p. 1562 - 1563

3
[ 455-32-3 ]
[ 54435-79-9 ]
[ 109-63-7 ]
[ 448-61-3 ]

Reference： [1] Journal of the American Chemical Society, 1954, vol. 76, p. 5439,5443

[ 455-32-3 ] Synthesis Path-Downstream 1~33

1
[ 13368-42-8 ]
[ 455-32-3 ]
[ 1468-28-6 ]

Yield	Reaction Conditions	Operation in experiment
97%	In acetonitrile for 6h; Ambient temperature;

Reference： [1]Rajeswari, Sundaramoorthi; Jones, Robert J.; Cava, Michael P. [Tetrahedron Letters, 1987, vol. 28, # 43, p. 5099 - 5102]

2
[ 70690-19-6 ]
[ 455-32-3 ]
[ 94-50-8 ]

Reference： [1]Journal of Organic Chemistry,1990,vol. 55,p. 4770 - 4772
[2]Tetrahedron Letters,1989,vol. 30,p. 1665 - 1668

3
[ 591-50-4 ]
[ 201230-82-2 ]
[ 455-32-3 ]
[ 939-48-0 ]
[ 31197-66-7 ]

Yield	Reaction Conditions	Operation in experiment
1: 46.4% 2: 16.5% 3: 10.7%	With cesium fluoride In benzene at 80℃; for 16.5h; Effect of catalyst, solvent and fluoride salt.;
1: 16.5% 2: 10.7% 3: 46.4%	With cesium fluoride In benzene at 80℃; for 16.5h;

Reference： [1]Sakakura, Toshiyasu; Chaisupakitsin, Malinee; Hayashi, Teruyuki; Tanaka, Masato [Journal of Organometallic Chemistry, 1987, vol. 334, p. 205 - 212]
[2]Sakakura, Toshiyasu; Chaisupakitsin, Malinee; Hayashi, Teruyuki; Tanaka, Masato [Journal of Organometallic Chemistry, 1987, vol. 334, p. 205 - 212]

4
[ 455-32-3 ]
[ 100-51-6 ]
[ 120-51-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane In chlorobenzene for 4h; Inert atmosphere; Reflux;	4.5. Typical Procedures for the Synthesis of Esters, Synthesis of Phenyl Benzoate (Table 3 and Table 4) General procedure: In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), phenol (0.5 mmol, 47.0 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred under reflux with nitrogen bubbling for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving phenyl benzoate (45.4 mg, 92%) as colorless solid.
85%	With triethylamine In dichloromethane at 20℃;

Reference： [1]Arisawa, Mieko; Igarashi, Yui; Kobayashi, Haruki; Yamada, Toru; Bando, Kentaro; Ichikawa, Takuya; Yamaguchi, Masahiko [Tetrahedron, 2011, vol. 67, # 40, p. 7846 - 7859]
[2]Chen, Chinpiao; Chien, Chin-Tzu; Su, Chu-Hsiang [Journal of Fluorine Chemistry, 2002, vol. 115, # 1, p. 75 - 77]

5
[ 710-04-3 ]
[ 455-32-3 ]
cis-6-Hexyltetrahydropyran-2-yl benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	Stage #1: 6-hexyltetrahydro-2H-pyran-2-one With diisobutylaluminium hydride In hexane; dichloromethane at -78℃; for 2h; Stage #2: benzoyl fluoride With pyridine; dmap In dichloromethane at -78 - 15℃; for 12h;

Reference： [1]Zhang, Yongda; Rovis, Tomislav [Organic Letters, 2004, vol. 6, # 11, p. 1877 - 1879]

6
[ 455-32-3 ]
[ 625-81-0 ]
[ 611-70-1 ]

Yield	Reaction Conditions	Operation in experiment
91%	With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; para-fluorostyrene; 2-(2-(diphenylphosphino)ethyl)pyridine In tetrahydrofuran; toluene at 23℃; for 0.166667h;

Reference： [1]Zhang, Yongda; Rovis, Tomislav [Journal of the American Chemical Society, 2004, vol. 126, # 49, p. 15964 - 15965]

7
[ 455-32-3 ]
[ 1529-17-5 ]
[ 93-99-2 ]

Reference： [1]Synlett,2007,p. 381 - 386

8
[ 455-32-3 ]
[ 954-16-5 ]

Reference： [1]Chemische Berichte,1981,vol. 114,p. 1967 - 1971

9
[ 1953-99-7 ]
[ 455-32-3 ]
[ 1835-65-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; at 270℃; for 16h;	A reaction was performed at 270° C. for 16 hours by following the procedure of Example 1 while using 80.0 g (0.301 mol) of 3,4,5,6-<strong>[1953-99-7]tetrachlorophthalonitrile</strong> in the place of pentachlorobenzonitrile and 0.1 g of sodium hydroxide in the place of potassium hydroxide. After the reaction was completed, the reaction solution was cooled to room temperature and then filtered to remove the suspended potassium chloride and the unaltered potassium fluoride. When the benzonitrile solution as the mother liquor was analyzed by gas chromatography, it was found to contain 55.4 g of 3,4,5,6-tetrafluorophthalonitrile and 0.018 g of benzoic acid fluoride (325 ppm based on the amount of 3,4,5,6-tetrafluorophthalonitrile). The stainless steel reaction vessel showed no discernible sign of corrosion.
		A reaction was performed and the reaction product was treated by following the procedure of Example 1 while omitting the addition of sodium hydroxide. When the benzonitrile solution as the mother liquor was similarly analyzed, it was found to contain 0.200 g of benzoic acid fluoride (3600 ppm based on the amount of 3,4,5,6-tetrafluorophthalonitrile). The stainless steel reaction vessel showed a sign of slight corrosion.

Reference： [1]Patent: US6392084,2002,B1 .Location in patent: Page column 15,16
[2]Patent: US6392084,2002,B1 .Location in patent: Page column 16

10
[ 1066-77-9 ]
[ 455-32-3 ]
[ 7783-62-2 ]

Yield	Reaction Conditions	Operation in experiment
	In not given

Reference： [1]Citron,J.D. [Journal of Organometallic Chemistry, 1971, vol. 30, p. 21 - 26]
[2][Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: MVol.C1, 4.4, page 146 - 147]

11
[ 111-87-5 ]
[ 455-32-3 ]
[ 94-50-8 ]

Yield	Reaction Conditions	Operation in experiment
85%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; for 4h;Inert atmosphere; Reflux;	General procedure: In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), phenol (0.5 mmol, 47.0 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred under reflux with nitrogen bubbling for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving phenyl benzoate (45.4 mg, 92%) as colorless solid.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7846 - 7859

12
[ 111-87-5 ]
[ 455-32-3 ]
[ 789-25-3 ]
[ 94-50-8 ]
[ 379-50-0 ]

Yield	Reaction Conditions	Operation in experiment
81%; 68%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; at 20℃; for 3h;Inert atmosphere;	General procedure: In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), 4-methoxyphenol (0.5 mmol, 62 mg), triphenylsilane (0.5 mmol, 130 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred at room temperature for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving p-methoxyphenyl benzoate (109.1 mg, 96%) and triphenylsilyl fluoride (121.1 mg, 87%) as colorless solid. Triphenylsilyl Fluoride Colorless solid. Mp. 64.0-65.0 C (hexane). Lit.8 64 C. 1H-NMR (400 MHz, CDCl3) d 7.41 (6H, t, J = 7.6 Hz), 7.48 (3H, t, J = 7.6 Hz), 7.65 (6H, dd, J = 7.6, 1.6 Hz). 13C-NMR (100 MHz, CDCl3) d 128.1, 130.8, 132.5 (d, J = 16.7 Hz), 135.0 (d, J = 2.3 Hz). IR (KBr) v 3051, 3025, 1429, 1124, 841 cm-1. MS (EI) m/z 278 (M+, 100%), 201 (M+-C6H5, 41%). HRMS Calcd for C18H15SiF: 278.0948. Found: 278.0927.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7846 - 7859

13
[ 455-32-3 ]
[ 92-69-3 ]
[ 2170-13-0 ]

Yield	Reaction Conditions	Operation in experiment
96%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; for 3.0h;Inert atmosphere; Reflux;	General procedure: In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), phenol (0.5 mmol, 47.0 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred under reflux with nitrogen bubbling for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving phenyl benzoate (45.4 mg, 92%) as colorless solid.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7846 - 7859

14
[ 455-32-3 ]
[ 150-76-5 ]
[ 789-25-3 ]
[ 1523-19-9 ]
[ 379-50-0 ]

Yield	Reaction Conditions	Operation in experiment
96%; 87%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; at 20℃; for 3h;Inert atmosphere;	In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), 4-methoxyphenol (0.5 mmol, 62 mg), triphenylsilane (0.5 mmol, 130 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred at room temperature for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving p-methoxyphenyl benzoate (109.1 mg, 96%) and triphenylsilyl fluoride (121.1 mg, 87%) as colorless solid. Triphenylsilyl Fluoride Colorless solid. Mp. 64.0-65.0 C (hexane). Lit.8 64 C. 1H-NMR (400 MHz, CDCl3) d 7.41 (6H, t, J = 7.6 Hz), 7.48 (3H, t, J = 7.6 Hz), 7.65 (6H, dd, J = 7.6, 1.6 Hz). 13C-NMR (100 MHz, CDCl3) d 128.1, 130.8, 132.5 (d, J = 16.7 Hz), 135.0 (d, J = 2.3 Hz). IR (KBr) v 3051, 3025, 1429, 1124, 841 cm-1. MS (EI) m/z 278 (M+, 100%), 201 (M+-C6H5, 41%). HRMS Calcd for C18H15SiF: 278.0948. Found: 278.0927.

Reference： [1]Tetrahedron,2011,vol. 67,p. 7846 - 7859

15
[ 455-32-3 ]
[ 108-95-2 ]
[ 93-99-2 ]

Yield	Reaction Conditions	Operation in experiment
92%	With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane In chlorobenzene for 3h; Inert atmosphere; Reflux;	4.5. Typical Procedures for the Synthesis of Esters, Synthesis of Phenyl Benzoate (Table 3 and Table 4) In a two-necked flask equipped with a reflux condenser were placed 2 (0.5 mmol, 54 mL), phenol (0.5 mmol, 47.0 mg), RhH(PPh3)4 (1 mol%, 5.8 mg), 1,2-bis(diphenylphosphino)ethane (2 mol%, 4.0 mg) in chlorobenzene (1 mL) under an argon atmosphere, and the solution was stirred under reflux with nitrogen bubbling for 3 h. The solvent was removed under reduced pressure, and the residue was purified by flash column chromatography on silica gel giving phenyl benzoate (45.4 mg, 92%) as colorless solid. Mp. 69.5-70.0 °C. (ethanol). Lit.1 69-70 °C (benzene). 1H-NMR (400 MHz, CDCl3) d 7.22 (2H, d, J = 8.0 Hz), 7.27 (1H, t, J = 8.0 Hz), 7.43 (2H, t, J = 8.0 Hz), 7.51 (2H, t, J = 8.0 Hz), 7.64 (1H, t, J = 8.0 Hz), 8.21 (2H, d, J = 8.0 Hz). 13C-NMR (100 MHz, CDCl3) d 121.7, 125.9, 128.5, 129.5, 129.6, 130.1, 133.6, 150.9, 165.2. IR (KBr) v 3058, 1731, 1266, 1199, 1064 cm-1. MS (EI) m/z 198 (M+, 20%), 105 (M+-C6H5O, 100%). HRMS Calcd for C13H10O2: 198.0681. Found: 198.0677.
	With triethylamine In N,N-dimethyl-formamide at 20℃; Inert atmosphere;

Reference： [1]Arisawa, Mieko; Igarashi, Yui; Kobayashi, Haruki; Yamada, Toru; Bando, Kentaro; Ichikawa, Takuya; Yamaguchi, Masahiko [Tetrahedron, 2011, vol. 67, # 40, p. 7846 - 7859]
[2]Ueda, Tsuyoshi; Konishi, Hideyuki; Manabe, Kei [Organic Letters, 2013, vol. 15, # 20, p. 5370 - 5373]

16
[ 455-32-3 ]
[ 6638-79-5 ]
[ 6919-61-5 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 5370 - 5373

17
[ 455-32-3 ]
C₁₄H₂₀O₂Si [ No CAS ]
[ 94-49-5 ]
2-((3-phenylprop-2-yn-1-yl)oxy)ethyl benzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap In chloroform-d1 at 20℃; Inert atmosphere; Overall yield = 28.1 mg;

Reference： [1]Berthet, Mathéo; Songis, Olivier; Taillier, Catherine; Dalla, Vincent [Journal of Organic Chemistry, 2017, vol. 82, # 18, p. 9916 - 9922]

18
[ 7269-35-4 ]
[ 455-32-3 ]
S-(1-fluorobutyl) benzothioate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
61%	With tetraethylammonium fluoride tetra(hydrogen fluoride) In dichloromethane at 20℃; Electrolysis; regioselective reaction;	General procedure for the anodic fluorination General procedure: Analogous as described in [17], the anodic oxidation of a substrate(1 mmol) was carried out in a plastic undivided cell equipped with platinum anode and cathode (2 cm × 2 cm) containing10 mL of HF salt (20 equiv of F- to substrate/solvent) at room temperature. A constant current (40 mA) was passed until the starting material was mostly consumed (monitored by TLC). After electrolysis, the electrolytic solution was passed through a short column filled with silica gel using EtOAc as an eluent to remove the HF salt. The fluorinated product was further purified by silica gel column or preparative thin layer chromatography using a solution of hexane/EtOAc (20:1 to 1:1) as an eluent.The yield of the fluorinated products were estimated by19F NMR using monofluorobenzene as an internal standard.The known fluorinated products, benzoyl fluoride [39],p-chlorobenzoyl fluoride [40] and p-fluorobenzoyl fluoride [41]were identified by comparison with 19F NMR and MS spectraldata of the authentic samples.

Reference： [1]Kuribayashi, Shunsuke; Kurioka, Tomoyuki; Inagi, Shinsuke; Lu, Ho-Jung; Uang, Biing-Jiun; Fuchigami, Toshio [Beilstein Journal of Organic Chemistry, 2018, vol. 14, p. 389 - 396]

19
[ 455-32-3 ]
[ 134150-01-9 ]
[ 64357-39-7 ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4324 - 4327

20
[ 455-32-3 ]
[ 145240-28-4 ]
[ 55363-57-0 ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4324 - 4327

21
[ 455-32-3 ]
[ 122775-35-3 ]
[ 4038-14-6 ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4324 - 4327

22
[ 455-32-3 ]
[ 99768-12-4 ]
[ 6158-54-9 ]

Yield	Reaction Conditions	Operation in experiment
45%	With potassium fluoride; palladium diacetate; tricyclohexylphosphine In toluene at 120℃; for 16h; Inert atmosphere; Sealed tube;

Reference： [1]Ogiwara, Yohei; Sakino, Daisuke; Sakurai, Yuka; Sakai, Norio [European Journal of Organic Chemistry, 2017, vol. 2017, # 29, p. 4324 - 4327]

23
[ 230299-21-5 ]
[ 455-32-3 ]
[ 15961-35-0 ]

Reference： [1]Chemical Communications,2018,vol. 54,p. 13969 - 13972

24
[ 455-32-3 ]
[ 188975-30-6 ]
[ 1254985-17-5 ]

Yield	Reaction Conditions	Operation in experiment
52%	With manganese; 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine In N,N-dimethyl acetamide; toluene at 70℃; for 15h; Sealed tube;

Reference： [1]Pan, Feng-Feng; Guo, Peng; Li, Chun-Ling; Su, Peifeng; Shu, Xing-Zhong [Organic Letters, 2019, vol. 21, # 10, p. 3701 - 3705]

25
[ 455-32-3 ]
[ 17955-46-3 ]
[ 960-16-7 ]

Yield	Reaction Conditions	Operation in experiment
90%	With cesium fluoride; nickel dichloride; In toluene; at 140℃; for 24h;Schlenk technique; Inert atmosphere;	General procedure: A 20 mL dried Schlenk tube containing a stirring bar and CsF (60.8 mg, 0.4 mmol, 2 equiv) was dried with a heat gun under reduced pressure and filled with Ar after cooling to room temperature. To this vessel, were added NiCl2 (1.3 mg, 0.01 mmol, 5 mol %), toluene (1 mL), acyl fluorides (1) (0.2 mmol,1 equiv) and <strong>[17955-46-3]trimethyl(tributylstannyl)silane</strong> (2) (87.2 mg, 0.24 mmol, 1.2 equiv). The mixture was heated at 140 C with stirring for 24 h. The solution was then cooled to room temperature, and the solvent was removed under vacuum. The decarbonylative stannylation products 3 were purified by flash column chromatography on silica gel.

Reference： [1]Molecules,2019,vol. 24

26
[ 17347-32-9 ]
[ 455-32-3 ]
[ 35664-73-4 ]

Yield	Reaction Conditions	Operation in experiment
71%		A 20 mL dried Schlenk tube containing a stirring bar and CsF (60.8 mg, 0.4 mmol, 2 equiv) was dried with a heat gun under reduced pressure and filled with Ar after cooling to room temperature.To this vessel, were added with NiCl2 (1.3 mg, 0.01 mmol, 5 mol %), toluene (1 mL), benzoyl fluoride(1a) (24.8 mg, 0.2 mmol), and trimethyl(tributylstannyl)silane (2) (87.2 mg, 0.24 mmol, 1.2 equiv).The mixture was heated at 140 C with stirring for 24 h. The solution was then cooled to room temperature. 6-Bromobenzo[b]thiophene (42.6 mg, 0.2 mmol, 1 equiv), palladium acetate (0.4 mg,0.002 mmol, 1 mol %), tricyclohexylphosphine (1.1 mg, 0.004 mmol, 2 mol %), and anhydrous cesiumfluoride (45.6 mg, 0.3 mmol, 1.5 equiv) were added to the reaction mixture. The mixture was heated at110 C with stirring. After 24 h, the reaction mixture was cooled, the volatiles were evaporated under reduced pressure. The product was purified by flash chromatography on silica gel by elution with hexane, compound 4 was obtained in 71% yield (30 mg, 0.14 mmol) as white solid [31].

Reference： [1]Molecules,2019,vol. 24

27
[ 1295-35-8 ]
[ 455-32-3 ]
[ 2622-14-2 ]
C₄₃H₇₁FNiOP₂ [ No CAS ]

Reference： [1]Nature,2018,vol. 563,p. 100 - 104

28
[ 455-32-3 ]
[ 91608-15-0 ]
[ 93-58-3 ]

Reference： [1]Journal of Organic Chemistry,2020,vol. 85,p. 7526 - 7533

29
[ 455-32-3 ]
[ 870238-65-6 ]
[ 1190376-20-5 ]

Reference： [1]Chemical Communications,2020,vol. 56,p. 7977 - 7980

30
[ 652-29-9 ]
[ 93-97-0 ]
[ 455-32-3 ]
4-benzoyloxy-2,3,5,6-tetrafluoroacetophenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1: 36% 2: 58 %Spectr.	With dmap In benzene-d6; acetonitrile at 100℃; for 17h; regioselective reaction;

Reference： [1]Mulryan, Daniel; White, Andrew J. P.; Crimmin, Mark R. [Organic Letters, 2020, vol. 22, # 23, p. 9351 - 9355]

31
[ 455-32-3 ]
[ 4111-54-0 ]
[ 20383-28-2 ]

Yield	Reaction Conditions	Operation in experiment
95%	With chloro-trimethyl-silane In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere;	Preparation of Amides 3; General Procedure General procedure: Reactions of lithium amide with acyl fluoride. A 30 mL Schlenk flaskwas charged with acyl fluoride (2.0 mmol) and flushed with argon.Then, THF (4 mL) was added, the mixture was placed in a cooling bathat -78 °C, and TMSCl (0.38 mL, 3.0 mmol) was added. To the resultingmixture a preformed solution of lithium amide in THF (see procedureabove) was added over ca. 1 min. After 30 min, the cooling bath wasremoved, the mixture was immediately quenched with saturatedaqueous NaHCO3 (20 mL), and then extracted with EtOAc (3 × 25 mL).The combined organic phases were washed with brine (25 mL), driedwith MgSO4, filtered off and evaporated. The product was purified bycolumn chromatography (cyclohexane/EtOAc v/v 20:1→10:1). Preliminaryexperiments (Scheme 3) were carried out according to theGeneral Procedure. Products of reaction with LiHMDS were isolated asN-unsubstituted amides.

Reference： [1]Tryniszewski, Michał; Barbasiewicz, Michał [Synthesis, 2022, vol. 54, # 5, p. 1446 - 1460]

32
[ 455-32-3 ]
[ 185990-03-8 ]
[ 119757-51-6 ]
(E)-dimethyl(phenyl)(2-phenyl-1,2-bis(4-(trifluoromethyl)phenyl)ethenyl)silane [ No CAS ]

Reference： [1]Organic Letters,2022,vol. 24,p. 385 - 389

33
[ 33118-85-3 ]
[ 455-32-3 ]
(5-bromo-2-fluoro-3-methyl-2,3-dihydrobenzofuran-3-yl)(phenyl)methanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With 2-mesityl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate; Potassium phosphate, dibasic; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate In N,N-dimethyl-formamide; acetonitrile at 20℃; for 24h; Irradiation; Schlenk technique; Inert atmosphere;

Reference： [1]Yu, Xiaoye; Meng, Qing-Yuan; Daniliuc, Constantin G.; Studer, Armido [Journal of the American Chemical Society, 2022, vol. 144, # 16, p. 7072 - 7079]

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Precautionary Statements-General
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
P201	Obtain special instructions before use.
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.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
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.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
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:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
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.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
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.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
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.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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

[ CAS No. 455-32-3 ] {[proInfo.proName]}

Quality Control of [ 455-32-3 ]

Related Doc. of [ 455-32-3 ]

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Safety of [ 455-32-3 ]

Application In Synthesis of [ 455-32-3 ]

[ 455-32-3 ] Synthesis Path-Upstream 1~3

[ 455-32-3 ] Synthesis Path-Downstream 1~33

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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