ChemicalBook CAS DataBase List 3-Fluorobenzotrifluoride

3-Fluorobenzotrifluoride synthesis

11synthesis methods

Product Name:3-Fluorobenzotrifluoride
CAS Number:401-80-9
Molecular formula:C7H4F4
Molecular Weight:164.1

98-16-8

401-80-9

The general procedure for the synthesis of 3-fluorobenzotrifluoride (3-FBT) from m-aminobenzotrifluoride is as follows: in a three-necked round-bottomed flask equipped with a reflux condenser, thermocouples, and a stirring system, m-aminobenzotrifluoride is dissolved in o-dichlorobenzene or benzylnitrile and the reaction temperature is maintained at a temperature lower than 0 °C. Subsequently, 1.4-1.5 molar equivalents of BF3.Et2O or BF3.2H2O were slowly added. tert-butyl nitrite dissolved in the same solvent was added to the reaction mixture at ambient temperature. Next, the reaction medium was heated according to the temperature and time specified in Table (I). The reaction results were recorded in Table (I).

98-16-8
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$9.00/5g

401-80-9
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$5.00/10g

Yield:401-80-9 44%

Reaction Conditions:

with tert.-butylnitrite;boron trifluoride diethyl etherate in 1,2-dichloro-benzene at 90; for 0.666667 h;Balz-Schiemann Reaction;

Steps:

2
Examples 2 to 6; Before describing the examples in detail, the procedure which is used in all the examples is specified. An aminoaromatic compound in a solvent (o-dichlorobenzene or benzonitrile) is slowly introduced onto a BF₃.Et₂O heel (1.4-1.5 molar equivalents) at a temperature of less than 0° C. or onto a BF₃.2H₂O heel (1.4-1.5 molar equivalents) at ambient temperature in a three-necked round-bottomed flask equipped with a reflux condenser, a thermocouple and a stirring system. t-Butyl nitrite in the same solvent is then added at ambient temperature and then the reaction medium is heated at the temperature specified in the table below and according to the time shown. The results are recorded in table (I). Table I

References:

Garel, Laurent;Saint-Jalmes, Laurent US2007/276168, 2007, A1 Location in patent:Page/Page column 8

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