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112344-52-2

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Basic Information
CAS No.: 112344-52-2
Name: flobufen
Article Data: 2
Molecular Structure:
Molecular Structure of 112344-52-2 (flobufen)
Formula: C17H14 F2 O3
Molecular Weight: 304.293
Synonyms: 4-(2',4'-Difluorobiphenyl-4-yl)-4-oxo-2-methylbutanoicacid; Flobufen; VUFB 16066
Density: 1.272g/cm3
Boiling Point: 456.5°Cat760mmHg
Flash Point: 229.9°C
PSA: 54.37000
LogP: 3.92530
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Synthetic route
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4-(2',4'-difluorobiphenyl-4-yl)-2-methylene-4-oxobutanoic acid

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In 1,4-dioxane at 20℃; under 3750.3 Torr;74%
37847-52-2

2,4-difluorobiphenyl

4100-80-5

2-methylsuccinic anhydride

A

4-(2',4'-difluorobiphenyl-4-yl)-3-methyl-4-oxobutanoic acid

B

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
With aluminium trichloride In 1,2-dichloro-ethane 1) 10 degC, 4 h, 2) 20 degC, 16 h;A n/a
B 40.2%
...Expand
97-65-4

2-methylenesuccinic acid

potassium bromide

potassium bromide

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 92 percent / Ac2O / 4 h / 80 °C
2: 63 percent / AlCl3 / CH2Cl2 / 1.) 10 deg C, 4 h, 2.) 20 deg C, 2 h
3: 74 percent / H2 / Pd/C / dioxane / 20 °C / 3750.3 Torr
View Scheme
2170-03-8

itaconic acid anhydride

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 63 percent / AlCl3 / CH2Cl2 / 1.) 10 deg C, 4 h, 2.) 20 deg C, 2 h
2: 74 percent / H2 / Pd/C / dioxane / 20 °C / 3750.3 Torr
View Scheme
3886-69-9

(R)-1-phenyl-ethyl-amine

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

4-(2',4'-Difluoro-biphenyl-4-yl)-2-methyl-4-oxo-butyric acid; compound with (R)-1-phenyl-ethylamine

Conditions
ConditionsYield
In diethyl ether; acetone for 1h;97%
56-87-1

L-lysine

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

(+/-)-4-(2',4'-fifluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid L-(+)-lysine salt

Conditions
ConditionsYield
In water; dimethyl sulfoxide95%
78-83-1

2-methyl-propan-1-ol

112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

4-(2',4'-Difluoro-biphenyl-4-yl)-2-methyl-4-oxo-butyric acid isobutyl ester

Conditions
ConditionsYield
With thionyl chloride 1.) -15 deg C, 30 min, 2.) 40-45 deg C, 2 h;91%
112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

847475-35-8

4-(2',4'-difluorobipenyl-4-yl)-2-methylbutyric acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In water; acetic acid at 60℃; for 5h;87%
112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

108-91-8

cyclohexylamine

4-(2',4'-Difluoro-biphenyl-4-yl)-2-methyl-4-oxo-butyric acid; compound with cyclohexylamine

Conditions
ConditionsYield
In diethyl ether; acetone for 1h;86%
112344-52-2

4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

100-46-9

benzylamine

4-(2',4'-Difluoro-biphenyl-4-yl)-2-methyl-4-oxo-butyric acid; compound with benzylamine

Conditions
ConditionsYield
In water; dimethyl sulfoxide72%
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