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| CAS No.: | 2142-69-0 |
|---|---|
| Name: | 2'-Bromoacetophenone |
| Molecular Structure: | |
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|
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| Formula: | C8H7BrO |
| Molecular Weight: | 199.047 |
| Synonyms: | Acetophenone,2'-bromo- (7CI,8CI);1-(2-Bromophenyl)ethanone;1-Acetyl-2-bromobenzene;2-Acetylbromobenzene;2-Bromophenyl methyl ketone;NSC155380;o-Bromoacetophenone;o-Bromophenyl methyl ketone; |
| EINECS: | 218-398-1 |
| Density: | 1.451 g/cm3 |
| Melting Point: | °C |
| Boiling Point: | 249 °C at 760 mmHg |
| Flash Point: | 86.6 °C |
| Solubility: | practically insoluble in water |
| Appearance: | Clear pale yellow to orange liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 17.07000 |
| LogP: | 2.65170 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 1025869-90-2
(1-(2-bromophenyl)ethoxy)trimethylsilane
- 2142-69-0
2-bromophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With nitrogen dioxide at 20℃; for 1h; | 100% |
| Conditions | Yield |
|---|---|
| With Iron(III) nitrate nonahydrate; 1-hydroxy-pyrrolidine-2,5-dione; oxygen In benzonitrile at 90℃; for 21h; | 99% |
| With Iron(III) nitrate nonahydrate; N-hydroxyphthalimide In benzonitrile at 100℃; for 20h; | 95% |
| With oxygen; silica gel; 4-aminoperbenzoic acid In dichloromethane at 20℃; for 12h; | 73% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In tetrahydrofuran; water; toluene at 20 - 25℃; for 2h; Friedel-Crafts Acylation; | 96.5% |
| Conditions | Yield |
|---|---|
| With silica gel; pyridinium chlorochromate In dichloromethane at 20℃; for 2h; Inert atmosphere; | 96% |
| With silica gel; pyridinium chlorochromate In dichloromethane at 20℃; for 2h; Inert atmosphere; | 95% |
| With C53H46ClN3P2Ru; potassium tert-butylate; acetone at 56℃; under 750.075 Torr; for 3h; Oppenauer Oxidation; | 94% |
| Conditions | Yield |
|---|---|
| With water at 80℃; for 2h; Temperature; Green chemistry; | 86% |
| With iron(III) chloride; water; silver(I) triflimide In 1,4-dioxane at 80℃; for 60h; regioselective reaction; | 84% |
| With water at 80℃; for 15h; | 84% |
- 75-16-1
methylmagnesium bromide
- 7154-66-7
2-bromobenzoic acid chloride
A
- 2142-69-0
2-bromophenyl methyl ketone
B
- 577-16-2, 122382-54-1
2-Methylacetophenone
| Conditions | Yield |
|---|---|
| With iron(III)-acetylacetonate In tetrahydrofuran at -78℃; | A 85% B 7 % Chromat. |
- 60199-33-9
ortho-bromobenzenesulfonyl hydrazide
- 75-05-8
acetonitrile
- 2142-69-0
2-bromophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With 1,10-Phenanthroline; water; palladium diacetate at 100℃; under 760.051 Torr; for 6h; | 82% |
| Conditions | Yield |
|---|---|
| With trifluoromethanesulfonic acid anhydride; magnesium bromide In diethyl ether at 0℃; for 0.166667h; | 79% |
| With N-Bromosuccinimide; silver hexafluoroantimonate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; copper diacetate In 1,2-dichloro-ethane at 120℃; for 21h; Inert atmosphere; regioselective reaction; | 50% |
| With tetra-n-butylammonium tribromide In methanol; diethyl ether; dichloromethane | |
| With N-Bromosuccinimide; C18H24I2N5Pd(1+) In acetonitrile at 95℃; for 24h; Reagent/catalyst; Sealed tube; | 22 %Chromat. |
| With N-Bromosuccinimide; 2Ru(2+)*4F6P(1-)*C47H34N8*Pd(2+)*C2H6OS*2I(1-) In 1,2-dichloro-ethane at 95℃; for 16h; Sealed tube; | 57 %Chromat. |
- 294881-08-6
3-(2-bromophenyl)-3-oxopropionic acid methyl ester
- 2142-69-0
2-bromophenyl methyl ketone
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 70℃; for 6h; | 76% |
- 108-86-1
bromobenzene
- 75-36-5
acetyl chloride
A
- 2142-69-0
2-bromophenyl methyl ketone
B
- 99-90-1
para-bromoacetophenone
| Conditions | Yield |
|---|---|
| With iron(III) sulfate In hexane at 20℃; for 0.75h; Friedel-Crafts acylation; Sonication; | A 5.2% B 74% |
| With poly(4-vinylpyridine) supported trifluoromethanesulfonic acid at 0 - 20℃; for 6h; Friedel-Crafts Acylation; Overall yield = 20 %; |
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Specification
The Ethanone,1-(2-bromophenyl)-, with CAS registry number 2142-69-0, belongs to the following product categories: (1)Carbonyl Compounds; (2)Aromatic Acetophenones & Derivatives (substituted); (3)Benzene series; (4)Adehydes, Acetals & Ketones; (5)Bromine Compounds; (6)Acetophenone series. It has the systematic name of 1-(2-bromophenyl)ethanone. This chemical is a kind of clear pale yellow to orange liquid. What's more, its EINECS is 218-398-1.
Physical properties of Ethanone,1-(2-bromophenyl)-: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 31.64; (6)ACD/BCF (pH 7.4): 31.64; (7)ACD/KOC (pH 5.5): 412.57; (8)ACD/KOC (pH 7.4): 412.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 43.97 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 17.43×10-24cm3; (17)Surface Tension: 39 dyne/cm; (18)Enthalpy of Vaporization: 48.62 kJ/mol; (19)Vapour Pressure: 0.0235 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(2-bromo-phenyl)-ethanol. This reaction will need reagent PCC.
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Uses of Ethanone,1-(2-bromophenyl)-: it can be used to produce 1-methyl-3H-2-benzazepine. This reaction will need reagent Pd(PPh3)4 and solvent toluene. The reaction time is 24 hour(s). The yield is about 86%.
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When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2-bromophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(c1ccccc1Br)C
(2)InChI: InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
(3)InChIKey: PIMNFNXBTGPCIL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
(5)Std. InChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-N