Products Categories
| CAS No.: | 349-76-8 |
|---|---|
| Name: | 3'-(Trifluoromethyl)acetophenone |
| Article Data: | 80 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7F3O |
| Molecular Weight: | 188.149 |
| Synonyms: | Acetophenone,3'-(trifluoromethyl)- (7CI,8CI);1-[3-(Trifluoromethyl)phenyl]-1-ethanone;1-[5-(Trifluoromethyl)phenyl]ethanone;3-Trifluoromethylphenyl methyl ketone;NSC59177;NSC 81888;m-(Trifluoromethyl)acetophenone;m-Trifluoromethylphenylmethyl ketone; |
| EINECS: | 206-490-4 |
| Density: | 1.218 g/cm3 |
| Boiling Point: | 199 °C at 760 mmHg |
| Flash Point: | 83.9 °C |
| Solubility: | 620mg/L at 25℃ |
| Appearance: | clear colourless to very slightly yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 17.07000 |
| LogP: | 2.90800 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| Conditions | Yield |
|---|---|
| With oxygen; acetic acid; [Pd{N,N'-di(2,6-di-iPrC6H3)dihydroimidazol-2-yl}(OAc)2(H2O)] In toluene at 60℃; for 12h; | 99% |
| With (1,3-diarylimidazol-2-ylidene)-based Pd; oxygen; acetic acid In toluene at 60℃; for 12h; | 99% |
| With [(2-(benzoimidazol-2-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridine)RuCl2(PPh3)]; potassium tert-butylate; acetone In methanol at 56℃; under 750.075 Torr; for 0.166667h; Catalytic behavior; Oppenauer Oxidation; Inert atmosphere; | 96% |
| Conditions | Yield |
|---|---|
| With oxygen; silver fluoride In N,N-dimethyl-formamide at 50℃; for 3h; Molecular sieve; | 96% |
- 401-81-0
m-trifluoromethylphenyl iodide
- 108-24-7
acetic anhydride
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium (0); N-ethyl-N,N-diisopropylamine; lithium chloride In N,N-dimethyl-formamide at 100℃; for 5h; | 94% |
| Conditions | Yield |
|---|---|
| With potassium fluoride; oxygen In N,N-dimethyl-formamide at 50℃; for 18h; Molecular sieve; | 92% |
- 139214-45-2
2-methyl-2-(3-(trifluoromethyl)phenyl)-1,3-dithiolane
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| With iodosylbenzene In dichloromethane at 20℃; for 1.41667h; | 85% |
| Conditions | Yield |
|---|---|
| With acetic anhydride In tetrahydrofuran; toluene at -15 - 20℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere; | 81.3% |
- 401-78-5
3-bromo-1-trifluoromethylbenzene
- 75-36-5
acetyl chloride
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-1-trifluoromethylbenzene With trifluoroacetic acid; cobalt(II) bromide; zinc; zinc dibromide In acetonitrile at 20℃; Stage #2: acetyl chloride In acetonitrile at 20℃; | 80% |
| Stage #1: 3-bromo-1-trifluoromethylbenzene With cobalt(II) bromide; zinc dibromide In acetonitrile at 20℃; Electrochemical reaction; Stage #2: acetyl chloride With bis-triphenylphosphine-palladium(II) chloride In acetonitrile at 20℃; Negishi coupling reaction; | 76% |
| (i) Mg, (ii) CdCl2, (iii) /BRN= 605303/; Multistep reaction; |
- 1423-26-3
(meta-(trifluoromethyl)phenyl)boronic acid
- 75-05-8
acetonitrile
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| With 1,10-Phenanthroline; nickel(II) bromide 2-methoxyethyl ether complex; sodium hydrogencarbonate In water at 100℃; for 5h; Autoclave; | 77% |
- 99-03-6
1-(3-aminophenyl)ethanone
- 81290-20-2
(trifluoromethyl)trimethylsilane
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| Stage #1: 1-(3-aminophenyl)ethanone With tert.-butylnitrite; toluene-4-sulfonic acid In acetonitrile at 20℃; for 0.5h; Sandmeyer Reaction; Inert atmosphere; Stage #2: (trifluoromethyl)trimethylsilane With copper(I) thiocyanate; caesium carbonate In acetonitrile at 20℃; for 0.202833h; Sandmeyer Reaction; Inert atmosphere; | 74% |
- 401-78-5
3-bromo-1-trifluoromethylbenzene
- 108-24-7
acetic anhydride
- 349-76-8
3'-(trifluoromethyl)acetophenone
| Conditions | Yield |
|---|---|
| Stage #1: 3-bromo-1-trifluoromethylbenzene With isopropyl magnesium chloride; lithium chloride In tetrahydrofuran at 70℃; under 50.03 Torr; for 3.5h; Inert atmosphere; Stage #2: acetic anhydride at 0 - 40℃; Inert atmosphere; | 73.8% |
| (i) Mg, Et2O, (ii) /BRN= 385737/; Multistep reaction; |
- 34990-46-08-Vinyl-10-octadecenedioic acid
- 350-47-0Benzenediazonium, 4-acetyl-, tetrafluoroborate(1-)
- 350-50-5Benzyl fluoride
- 35064-90-5Ethylene glycol,propylene glycol,maleic anhydride polymer
- 350988-44-2Isopropyl 2-amino-4,5-dimethylthiophene-3-carboxylate
- 350989-59-22-(3-Isopropoxyphenyl)quinoline-4-carboxylic acid
- 350990-21-51-benzyl-2,3-dimethyl-1H-indole-5-carbohydrazide
- 350997-16-9Methyl 2-amino-4-(1,1'-biphenyl-4-yl)thiophene-3-carboxylate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The 3'-(Trifluoromethyl)acetophenone with cas registry number of 349-76-8 is a kind of clear colourless to very slightly yellow liquid which is also known as 3-Acetylbenzotrifluoride. Both its systematic name and IUPAC name are the same which is called 1-[3-(trifluoromethyl)phenyl]ethanone. It has EINECS registry number of 206-490-4. This chemical belongs to the following categories: Multisubstituted Benzene; Carbonyl Compounds; Aromatic Acetophenones & Derivatives (substituted); Organics; Benzene series.
The physical properties about this chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.82; (6)ACD/BCF (pH 7.4): 68.82; (7)ACD/KOC (pH 5.5): 719.51; (8)ACD/KOC (pH 7.4): 719.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 41.26 cm3; (14)Molar Volume: 154.4 cm3; (15)Surface Tension: 26.2 dyne/cm; (16)Density: 1.218 g/cm3; (17)Flash Point: 83.9 °C; (18)Enthalpy of Vaporization: 43.52 kJ/mol; (19)Boiling Point: 199 °C at 760 mmHg; (20)Vapour Pressure: 0.349 mmHg at 25°C ; (21)Refractive index: n20/D 1.4611(lit.).
Preparation of 3'-(Trifluoromethyl)acetophenone: it can be prepared by 1-(3-trifluoromethyl-phenyl)-ethanol with reagent CsSO4F and solvent acetonitrile at temperature of 30 - 35 ℃. The reaction time is about 1 hour with 88% yield.
.png)
Uses of 3'-(Trifluoromethyl)acetophenone: it can produce 2-bromo-1-(3-trifluoromethyl-phenyl)-ethanone with reagents Br2 and solvent CHCl3 at ambient temperature. The reaction time is 1.5 hours with yield of 92.9%.
.png)
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C(=O)C)c1;
(2)InChI: InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3;
(3)InChIKey: ABXGMGUHGLQMAW-UHFFFAOYAB