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2,3,5,6-tetrafluoro-4-(methoxycarbonyl)benzoic acid is a complex organic compound characterized by its molecular formula C9H5F4O4. 2,3,5,6-tetrafluoro-4-(methoxycarbonyl)benzoic acid features a benzoic acid structure with four fluorine atoms at the 2, 3, 5, and 6 positions, and a methoxycarbonyl group attached at the 4 position. The presence of fluorine atoms imparts unique properties to the molecule, such as increased lipophilicity and potential reactivity differences compared to non-fluorinated analogs. The methoxycarbonyl group introduces an ester functionality, which can participate in various chemical reactions, such as hydrolysis to form the corresponding carboxylic acid or reaction with amines to form amides. 2,3,5,6-tetrafluoro-4-(methoxycarbonyl)benzoic acid may be used in the synthesis of pharmaceuticals, agrochemicals, or other specialty chemicals where its specific structural features are advantageous.

954-15-4

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954-15-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 954-15-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,5 and 4 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 954-15:
(5*9)+(4*5)+(3*4)+(2*1)+(1*5)=84
84 % 10 = 4
So 954-15-4 is a valid CAS Registry Number.

954-15-4Relevant academic research and scientific papers

New preparation method of 1-bromo-methyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

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Paragraph 0034; 0036-0037; 0046-0048, (2019/08/20)

The invention discloses a new preparation method of 1-bromo-methyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene. The method comprises the steps that with a compound 2,3,5,6-tetrafluoro-terephthalicacid as a raw material, through alkylation, 2,3,5,6-tetrafluoro-terephthalic acid diester is obtained firstly, then single hydrolysis is conducted, formic acid is fluorinated into trifluoromethyl so as to obtain 2,3,5,6-tetrafluoro-4-trifluoromethyl benzoate, and after the 2,3,5,6-tetrafluoro-4-trifluoromethyl benzoate is reduced into alcohol, through bromination, the target compound is obtained.According to the method, the reaction raw materials are easy to obtain and low in price, few reaction by-products are generated, and the product is easy to purify, high in yield and suitable for massindustrial production; therefore, reliable guarantee is provided for a key intermediate of a novel drug 2-hydroxyl-5-(2,3,5,6-tetrafluoro-4-trifluoromethyl benzylamino)benzoic acid.

Extending the series of p-substituted tetrafluorobenzoic acids: synthesis, properties and structure

Zaitsev, Kirill V.,Oprunenko, Yuri F.,Lermontova, Elmira Kh.,Churakov, Andrei V.

, p. 49 - 58 (2017/03/22)

The synthesis of the derivatives of p-aminotetrafluorobenzoic acid, p-H2NC6F4CO2H (2b), by hydrolysis, acylation or interaction with aldehydes was developed giving H2NC6F4CO2K (2a), C6F5C(O)N(H)C6F4CO2Et (3) and (E)-ArCH[dbnd]NC6F4CO2Et (4–11). The chemical derivatization of tetrafluoroterephthalic acid, p-HO2CC6F4CO2H (12), by hydrolysis, etherification and reduction was performed giving a number of symmetrical X(O)CC6F4C(O)X (13–15; X?=?Cl, NEt2, OMe) or unsymmetrical YC6F4CO2Me (15a–b, 16, 18–21; Y?=?CO2K, CO2H, CH2OH, C(O)Cl, C(O)C6H3(i-Pr)2, CO2CH2C6F4CO2Me, CO2C6H4Bu-t), HOCH2C6F4CO2H (17), [MeO2CC6F4]2Y (22, 23; Y?=?OCH2CH2O, N(H)C6H4N(H)) compounds. All substances were thoroughly investigated by spectroscopic methods (multinuclear NMR and IR spectroscopy, mass-spectrometry). The molecular structures of p-H2NC6F4CO2Et (2) and p-HO2CC6F4CO2Me (15b) have been determined by X-ray diffraction analysis.

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