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CAS No.: | 1132832-75-7 |
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Name: | (5-broMo-2-Methylphenyl)(5-(4-fluorophenyl)thiophen-2-yl)Methanone |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C18H12BrFOS |
Molecular Weight: | 375.261 |
Synonyms: | (5-bromo-2-methyl-phenyl)-[5-(4-fluoro-phenyl)-thiophen-2-yl]-methanone;Methanone,(5-bromo-2-methylphenyl)(4-methoxyphenyl);(5-bromo-2-methylphenyl)(5-(4-fluorophenyl)-2-thienyl)methanone;5-Bromo-2-methyl-4'methoxybenzophenone;(5-Bromo-2-methyl-phenyl)-(4-methoxy-phenyl)-methanone; |
EINECS: | 1308068-626-2 |
Density: | 1.448±0.06 g/cm3(Predicted) |
Boiling Point: | 476.0±45.0 °C(Predicted) |
PSA: | 45.31000 |
LogP: | 5.85610 |
2-(4-fluorophenyl)thiophene
5-bromo-2-methylbenzoic acid
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Stage #1: 5-bromo-2-methylbenzoic acid With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 20 - 25℃; Stage #2: 2-(4-fluorophenyl)thiophene With aluminum (III) chloride In dichloromethane at 0 - 25℃; for 12.5h; Solvent; Reagent/catalyst; | 93.2% |
Stage #1: 5-bromo-2-methylbenzoic acid With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 0 - 35℃; Stage #2: 2-(4-fluorophenyl)thiophene With aluminum (III) chloride In dichloromethane; N,N-dimethyl-formamide at 0 - 35℃; | 89% |
Stage #1: 5-bromo-2-methylbenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 25 - 30℃; for 0.1h; Inert atmosphere; Stage #2: 2-(4-fluorophenyl)thiophene With aluminum (III) chloride In dichloromethane at 0 - 15℃; Inert atmosphere; | 80.4% |
Stage #1: 5-bromo-2-methylbenzoic acid With oxalyl dichloride In dichloromethane at 20℃; for 2h; Stage #2: 2-(4-fluorophenyl)thiophene With aluminum (III) chloride In dichloromethane at -15 - 35℃; for 4h; | 80% |
2-(4-fluorophenyl)thiophene
5-bromo-2-methylbenzoyl chloride
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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With aluminum (III) chloride In dichloromethane at -10 - 25℃; for 5.5h; Friedel-Crafts Acylation; Inert atmosphere; | 90.1% |
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Friedel Crafts acylation; | 85.7% |
Stage #1: 2-(4-fluorophenyl)thiophene; 5-bromo-2-methylbenzoyl chloride With aluminum (III) chloride In dichloromethane at -10 - 20℃; for 2.5 - 3.5h; Stage #2: With hydrogenchloride; water In n-heptane; dichloromethane at -12℃; | |
Stage #1: 2-(4-fluorophenyl)thiophene; 5-bromo-2-methylbenzoyl chloride With aluminum (III) chloride In dichloromethane at 0 - 20℃; Stage #2: With water In tetrahydrofuran cooling with ice; |
1-Bromo-4-fluorobenzene
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: potassium carbonate / tricyclohexylphosphine; tris-(dibenzylideneacetone)dipalladium(0) / ethanol; water / 90 °C / Inert atmosphere 2.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C 2.2: cooling with ice View Scheme | |
Multi-step reaction with 4 steps 1: potassium acetate; palladium diacetate / N,N-dimethyl acetamide / 22 h / 140 - 150 °C 2: sodium dihydrogenphosphate; dihydrogen peroxide; sodium chlorite / acetonitrile; water / 1.5 h / 40 °C 3: thionyl chloride / toluene / 21 h / 90 °C 4: iron(III) chloride / dichloromethane / 20 h / 20 °C View Scheme | |
Multi-step reaction with 3 steps 1.1: potassium propionate; bis[di-t-butyl(p-dimethylaminophenyl)phosphino]palladium (II) Dichloride / Isopropyl acetate / Reflux 2.1: tetrakis(triphenylphosphine) palladium(0); potassium carbonate / Dimethyl ether; water / 70 - 75 °C 3.1: thionyl chloride / N,N-dimethyl-formamide; dichloromethane / 0 - 35 °C 3.2: 0 - 35 °C View Scheme |
5-bromo-2-methylbenzoic acid
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 6 h / 20 °C 2.1: aluminum (III) chloride / dichloromethane / 0 - 20 °C 2.2: cooling with ice View Scheme | |
Multi-step reaction with 2 steps 1.1: dicyclohexyl-carbodiimide; 1-hydroxybenzotriazol-hydrate; triethylamine / dichloromethane / 20 °C / Inert atmosphere 2.1: hydrogenchloride; magnesium; iodine / diethyl ether / 0.33 h / Inert atmosphere; Reflux 2.2: 20 °C / Inert atmosphere View Scheme |
5-(4-fluorophenyl)thiophene-2-carboxylic acid
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 2 steps 1: thionyl chloride / toluene / 21 h / 90 °C 2: iron(III) chloride / dichloromethane / 20 h / 20 °C View Scheme |
5-(4-fluorophenyl)thiophene-2-carbonyl chloride
para-bromotoluene
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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With iron(III) chloride In dichloromethane at 20℃; for 20h; | 0.77 g |
thiophene-2-carbaldehyde
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 4 steps 1: potassium acetate; palladium diacetate / N,N-dimethyl acetamide / 22 h / 140 - 150 °C 2: sodium dihydrogenphosphate; dihydrogen peroxide; sodium chlorite / acetonitrile; water / 1.5 h / 40 °C 3: thionyl chloride / toluene / 21 h / 90 °C 4: iron(III) chloride / dichloromethane / 20 h / 20 °C View Scheme |
5-(4-fluorophenyl)thiophene-2-carboxaldehyde
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 3 steps 1: sodium dihydrogenphosphate; dihydrogen peroxide; sodium chlorite / acetonitrile; water / 1.5 h / 40 °C 2: thionyl chloride / toluene / 21 h / 90 °C 3: iron(III) chloride / dichloromethane / 20 h / 20 °C View Scheme |
4-fluoroboronic acid
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Multi-step reaction with 2 steps 1.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / 1,2-dimethoxyethane; water / 25 - 75 °C / Inert atmosphere 2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 0.1 h / 25 - 30 °C / Inert atmosphere 2.2: 0 - 15 °C / Inert atmosphere View Scheme |
2-bromo-5-(4-fluorophenyl)thiophene
5-bromo-N-methoxy-N,2-dimethylbenzamide
(5-bromo-2-methylphenyl)[5-(p-fluorophenyl)thiophene-2-yl]methanone
Conditions | Yield |
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Stage #1: 2-bromo-5-(4-fluorophenyl)thiophene With hydrogenchloride; iodine; magnesium In diethyl ether for 0.333333h; Inert atmosphere; Reflux; Stage #2: 5-bromo-N-methoxy-N,2-dimethylbenzamide In tetrahydrofuran; diethyl ether at 20℃; Inert atmosphere; | 0.402 g |