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Cas Database |
| Name |
2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone |
EINECS | 812-641-0 |
| CAS No. | 204205-33-4 | Density | 1.574 g/cm3 |
| PSA | 17.07000 | LogP | 3.24080 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H10BrFO | Boiling Point | 293.012 °C at 760 mmHg |
| Molecular Weight | 257.102 | Flash Point | 131.009 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone;Ethanone,2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-;a-(Cyclopropylcarbonyl)-2-fluorobenzyl bromide; |
Article Data | 21 |
2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone Synthetic route
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With iodine(I) bromide; 1-n-butyl-3-methylimidazolim bromide In tetrahydrofuran at 40℃; for 4h; Temperature; Time; Concentration; | 95.3% |
| With bromine In methanol at 25 - 30℃; for 6h; Concentration; | 94.65% |
| With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile) In cyclohexane at 10℃; Product distribution / selectivity; Reflux; | 93.28% |
- 451-82-1
(2-fluorophenyl)acetic acid
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: triethylamine / dichloromethane / 0.25 h / 0 - 5 °C 1.2: 6 h / 0 - 5 °C 2.1: iodine; magnesium / tetrahydrofuran / 25 - 50 °C 2.2: 40 - 50 °C 2.3: 0.25 h / 0 - 30 °C 3.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 1.2: 5 - 65 °C 2.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 1.2: 5 - 65 °C 2.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydride / toluene; dimethyl sulfoxide / 1.5 h / 95 - 110 °C / Large scale 2: bromine / methanol / Large scale View Scheme |
- 946402-23-9
2-(2-fluorophenyl)-N-methoxy-N-methylacetamide
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: iodine; magnesium / tetrahydrofuran / 25 - 50 °C 1.2: 40 - 50 °C 1.3: 0.25 h / 0 - 30 °C 2.1: toluene-4-sulfonic acid; 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 4 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: iodine; magnesium / tetrahydrofuran / 40 - 50 °C 1.2: 0.25 h / 0 - 30 °C 2.1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / toluene-4-sulfonic acid / dichloromethane / 4.75 h / 0 - 5 °C / Reflux View Scheme |
- 345-35-7
2-fluorobenzyl chloride
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: tetrabutylammomium bromide / dichloromethane; water / 25 °C 2.1: sodium hydroxide; water / 5 - 95 °C 2.2: pH 2 - 3 3.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 3.2: 5 - 65 °C 4.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme | |
| Multi-step reaction with 4 steps 1.1: tetrabutylammomium bromide / dichloromethane; water / 25 °C 2.1: sodium hydroxide; water / 5 - 95 °C 2.2: pH 2 - 3 3.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 3.2: 5 - 65 °C 4.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: magnesium; iodine / tetrahydrofuran; 2-methyltetrahydrofuran / 1.5 h / 40 - 45 °C / Inert atmosphere 2: N-Bromosuccinimide; toluene-4-sulfonic acid / acetonitrile / 24 h / 40 °C View Scheme | |
| Multi-step reaction with 2 steps 1: magnesium; iodine / tetrahydrofuran; toluene / 1.5 h / 40 - 45 °C / Inert atmosphere 2: N-Bromosuccinimide; toluene-4-sulfonic acid / acetonitrile / 24 h / 40 °C View Scheme |
- 326-62-5
2-fluorophenyl acetonitrile
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / 5 - 95 °C 1.2: pH 2 - 3 2.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 2.2: 5 - 65 °C 3.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / 5 - 95 °C 1.2: pH 2 - 3 2.1: magnesium; isopropyl bromide / toluene; tetrahydrofuran / 15 - 65 °C 2.2: 5 - 65 °C 3.1: dibenzoyl peroxide; N-Bromosuccinimide / ethyl acetate / 25 - 60 °C View Scheme |
- 4606-07-9
ethyl cyclopropylcarboxylate
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Stage #1: With iodine; magnesium; isopropyl bromide In tetrahydrofuran at 65℃; for 3h; Stage #2: ethyl cyclopropylcarboxylate In tetrahydrofuran at 5 - 70℃; for 3.16667h; Stage #3: With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); toluene-4-sulfonic acid In chloroform at 28 - 65℃; for 4h; |
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: triethylamine / dicyclohexyl-carbodiimide; benzotriazol-1-ol / dichloromethane / 6 h / 0 - 5 °C 2.1: iodine; magnesium / tetrahydrofuran / 40 - 50 °C 2.2: 0.25 h / 0 - 30 °C 3.1: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / toluene-4-sulfonic acid / dichloromethane / 4.75 h / 0 - 5 °C / Reflux View Scheme |
- 462-06-6
fluorobenzene
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tin(IV) chloride / tetrahydrofuran / 4 h / 45 °C 2: dichloromethane / 4 h / 20 °C 3: bromine / tetrahydrofuran / 10 h / 20 °C View Scheme |
- 57486-67-6
methyl o-fluorophenylacetate
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: pyridine / tetrahydrofuran / 6 h / 20 - 60 °C 2: 2,2'-azobis(isobutyronitrile); N-Bromosuccinimide / chloroform / 8 h / 20 °C View Scheme |
- 446-48-0
o-fluorobenzyl bromide
- 204205-33-4
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: magnesium / methyl iodide / diethyl ether / 20 °C 1.2: 20 °C 1.3: 0 °C 2.1: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; 2,2'-azobis(isobutyronitrile) / cyclohexane / 10 °C / Reflux View Scheme |
2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone Chemical Properties
Molecule structure of 2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone (CAS NO.204205-33-4):
Molecular Formula: C11H10BrFO
Molecular Weight: 257.10 g/mol
Density: 1.574 g/cm3
Boiling Point: 293.012 °C at 760 mmHg
Flash Point: 131.009 °C
Index of Refraction: 1.592
Molar Refractivity: 55.256 cm3
Molar Volume: 163.331 cm3
Polarizability: 21.905×10-24 cm3
Surface Tension: 50.662 dyne/cm
Enthalpy of Vaporization: 53.255 kJ/mol
Vapour Pressure: 0.002 mmHg at 25 °C
InChI: InChI=1/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
InChIKey of 2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone (CAS NO.204205-33-4): LMCZCCDXOZGIND-UHFFFAOYAC
2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone Specification
2-Bromo-2-(2-fluorophenyl)-1-cyclopropylethanone (CAS NO.204205-33-4) is also named as 2-Bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone ; ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)- .
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