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| CAS No.: | 150322-73-9 |
|---|---|
| Name: | Cyclopropyl 2-fluorobenzyl ketone |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C11H11FO |
| Molecular Weight: | 178.206 |
| Synonyms: | 1-Cyclopropyl-2-(2-fluorophenyl)ethanone; |
| EINECS: | 1592732-453-0 |
| Density: | 1.192 g/cm3 |
| Boiling Point: | 253.597 °C at 760 mmHg |
| Flash Point: | 107.942 °C |
| Appearance: | Pale Yellow Oil |
| PSA: | 17.07000 |
| LogP: | 2.34730 |
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- 70775-39-2, 5367-24-8
dimethylsulfoxonium methylide
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 4h; Temperature; | 93.6% |
- 4023-34-1
cyclopropanecarboxylic acid chloride
- 57486-67-6
methyl o-fluorophenylacetate
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With pyridine In tetrahydrofuran at 20 - 60℃; for 6h; Solvent; Reagent/catalyst; Temperature; | 92% |
- 584-74-7
o-fluorophenylacetic acid ethyl ester
- 4023-34-1
cyclopropanecarboxylic acid chloride
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With pyridine In N,N-dimethyl-formamide at 20 - 30℃; for 8h; Solvent; Reagent/catalyst; Temperature; | 91.4% |
- 4606-07-9
ethyl cyclopropylcarboxylate
- 451-82-1
(2-fluorophenyl)acetic acid
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| With sodium hydride In dimethyl sulfoxide; toluene at 95 - 110℃; for 1.5h; Large scale; | 88% |
| Stage #1: (2-fluorophenyl)acetic acid With magnesium; isopropyl bromide In tetrahydrofuran; toluene at 15 - 65℃; Stage #2: ethyl cyclopropylcarboxylate In tetrahydrofuran; toluene at 5 - 65℃; |
- 17696-23-0
cyclopropanecarboxylic acid dimethylamide
- 345-35-7
2-fluorobenzyl chloride
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid dimethylamide In tetrahydrofuran; diethyl ether for 0.5h; Product distribution / selectivity; | 79.8% |
| Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In tert-butyl methyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid dimethylamide In tetrahydrofuran; tert-butyl methyl ether for 0.5h; Product distribution / selectivity; | 60.9% |
| With iodine; magnesium In tetrahydrofuran; 2-methyltetrahydrofuran at 40 - 45℃; for 1.5h; Solvent; Concentration; Inert atmosphere; |
- 946402-23-9
2-(2-fluorophenyl)-N-methoxy-N-methylacetamide
- 23719-80-4
cyclopropylmagnesium bromide
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 45℃; for 1h; Inert atmosphere; Sealed tube; | 78% |
| In tetrahydrofuran at 45℃; for 1h; Sealed tube; Inert atmosphere; | 78% |
- 446-48-0
o-fluorobenzyl bromide
- 5500-21-0
cyclopropropanecarbonitrile
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Stage #1: o-fluorobenzyl bromide With magnesium; methyl iodide In diethyl ether at 20℃; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 20℃; Stage #3: With water; ammonium chloride In diethyl ether at 0℃; Product distribution / selectivity; | 72.18% |
| Stage #1: o-fluorobenzyl bromide With magnesium In diethyl ether at 20℃; for 1h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 20℃; for 3.16667h; Heating / reflux; Stage #3: With water; ammonium chloride In diethyl ether; ethyl acetate Product distribution / selectivity; Saturated solution; | |
| Stage #1: o-fluorobenzyl bromide With magnesium In diethyl ether at 25 - 30℃; for 0.5h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 25 - 30℃; for 4h; Heating / reflux; Stage #3: With water; ammonium chloride In diethyl ether Product distribution / selectivity; | |
| Stage #1: o-fluorobenzyl bromide With iodine; magnesium In diethyl ether at 30℃; for 2.75h; Stage #2: cyclopropropanecarbonitrile In diethyl ether at 30℃; for 3h; |
- 10374-28-4
cyclopropanecarboxylic acid diethylamide
- 345-35-7
2-fluorobenzyl chloride
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid diethylamide In tetrahydrofuran; diethyl ether for 0.5h; Product distribution / selectivity; | 48.7% |
- 61259-30-1
cyclopropanecarboxylic acid diisopropylamide
- 345-35-7
2-fluorobenzyl chloride
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluorobenzyl chloride With iodine; magnesium In diethyl ether for 2h; Heating / reflux; Stage #2: cyclopropanecarboxylic acid diisopropylamide In tetrahydrofuran; diethyl ether for 2h; Product distribution / selectivity; | 22.5% |
- 446-48-0
o-fluorobenzyl bromide
- 7439-95-4
magnesium dihydride
- 5500-21-0
cyclopropropanecarbonitrile
- 150322-73-9
1-cyclopropyl-2-(2-fluorophenyl)ethanone
| Conditions | Yield |
|---|---|
| In diethyl ether |
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Specification
The CAS register number of Cyclopropyl 2-fluorobenzyl ketone is 150322-73-9. It also can be called as Ethanone,1-cyclopropyl-2-(2-fluorophenyl)- and the IUPAC name about this chemical is 1-cyclopropyl-2-(2-fluorophenyl)ethanone. The molecular formula about this chemical is C11H11FO and the molecular weight is 178.20. It belongs to the Drug Intermediates.
Physical properties about Cyclopropyl 2-fluorobenzyl ketone are: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 28; (5)ACD/BCF (pH 7.4): 28; (6)ACD/KOC (pH 5.5): 383; (7)ACD/KOC (pH 7.4): 383; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.549; (12)Molar Refractivity: 47.522 cm3; (13)Molar Volume: 149.401 cm3; (14)Polarizability: 18.839x10-24cm3; (15)Surface Tension: 44.071 dyne/cm; (16)Enthalpy of Vaporization: 49.099 kJ/mol; (17)Boiling Point: 253.597 °C at 760 mmHg; (18)Vapour Pressure: 0.018 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)CC(=O)C2CC2)F
(2)InChI: InChI=1/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2
(3)InChIKey: DWBGTJUQWKWYGB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2
(5)Std. InChIKey: DWBGTJUQWKWYGB-UHFFFAOYSA-N
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