3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid

Product Name: 3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid
CAS No.: 641571-13-3
Chemical Name: 3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid
Synonyms: Nilotinib Impurity 14;3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid;3-(4-Methyl-1-imidazolyl)-5-(trifluoromethyl)benzoic Acid;3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
CBNumber: CB91512505
Molecular Formula: C12H9F3N2O2
Formula Weight: 0
MOL File: 641571-13-3.mol

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3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid Property

storage temp.: 2-8°C
Appearance: White to off-white Solid

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: M313035
Product name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicAcid
Packaging: 5g
Price: $855
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0049584
Product name: 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
Purity: 95.00%
Packaging: 5G
Price: $2656.5
Updated: 2021/12/16

Crysdot

Product number: CD11081800
Product name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicacid
Purity: 95+%
Packaging: 5g
Price: $933
Updated: 2021/12/16

Alichem

Product number: 641571133
Product name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicacid
Packaging: 1g
Price: $998
Updated: 2021/12/16

Ambeed

Product number: A473240
Product name: 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicacid
Purity: 95%
Packaging: 100mg
Price: $62
Updated: 2021/12/16

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3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid Chemical Properties,Usage,Production

Uses

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic Acid acts as a synthetic reagent used in the preparation and in antitumor activity of pyrrolo[2,3-d]pyrimidine derivatives against A375 human melanoma cells.

Synthesis

641571-12-2

641571-13-3

The general steps for the synthesis of 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid by nitrile hydrolysis reaction using 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile as raw material were as follows: General method: standard operating procedure for nitrile hydrolysis: 1. dissolve 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid nitrile in dioxane to prepare a 0.13 M solution. 2. aqueous NaOH solution (10 equiv. at a concentration of 1 g/L) was added to the above solution. 3. The reaction mixture was heated to reflux and the reaction was continued overnight. 4. Upon completion of the reaction, the dioxane solvent was removed by evaporation. 5. 5. The remaining aqueous phase was washed with ethyl acetate (AcOEt). 6. The aqueous phase was acidified with 2N HCl and extracted again with ethyl acetate (AcOEt). 7. The organic layers were combined and dried over anhydrous sodium sulfate (Na2SO4). 8. The desiccant was removed by filtration and the filtrate was concentrated to give the target product 3-(4-methylimidazol-1-yl)-5-trifluoromethylbenzoic acid.

References

[1] Patent: WO2014/102376, 2014, A1. Location in patent: Page/Page column 46
[2] Patent: WO2014/102377, 2014, A1. Location in patent: Page/Page column 50-51
[3] Journal of Medicinal Chemistry, 2010, vol. 53, # 15, p. 5439 - 5448
[4] Patent: WO2006/79791, 2006, A1. Location in patent: Page/Page column 41
[5] Patent: WO2004/29038, 2004, A1. Location in patent: Page 39

3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid Suppliers

China 45 India 4 United States 4 Global 53

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641571-13-3, 3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acidRelated Search:

Benzenamine, 3-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)- Methyl 3-amino-4-methylbenzoate Nilotinib Impurity 10 Nilotinib N-Oxide Nilotinib Impurity 7 Nilotinib genotoxic impurity 3 Nilotinib Impurity 1 Nilotinib Impurity 20 3-Amino-4-methylbenzoic acid Nilotinib Impurity 28 Nilotinib impurity 3 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid methyl ester 1H-IMidazole, 4-Methyl-1-[3-nitro-5-(trifluoroMethyl)phenyl]- 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate 3-(5-Methyl-1H-iMidazol-1-yl)-5-(trifluoroMethyl)benzenaMine

3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid

3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID

Nilotinib Impurity 14

3-(4-Methyl-1-imidazolyl)-5-(trifluoromethyl)benzoic Acid

641571-13-3

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