3'-Trifluoromethylisobutyranilide

Product Name: 3'-Trifluoromethylisobutyranilide
CAS No.: 1939-27-1
Chemical Name: 3'-Trifluoromethylisobutyranilide
Synonyms: TIMTEC-BB SBB008101;Flutamide Impurity E;Flutamide EP Impurity E;3'-trifluoromethylisobutyranilide;3'-TRIFLUOROMETHYL-ISO-BUTYRANILIDE;2-Methyl-N-[3-(trifluoromethyl)phen;N-(3-(Trifluoromethyl)phenyl)isobutyramide;Ethanone, 1-(2-hydroxy-4,5-dimethylphenyl)-;Flutamide Impurity 5 (Flutamide EP Impurity E);2-Methyl-N-(a,a,a-trifluoro-M-tolyl)propionaMide
CBNumber: CB6115630
Molecular Formula: C11H12F3NO
Formula Weight: 231.21
MOL File: 1939-27-1.mol

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3'-Trifluoromethylisobutyranilide Property

Melting point:: 100-101 °C
Boiling point:: 313.5±42.0 °C(Predicted)
Density: 1.220±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 14.33±0.70(Predicted)
form: Solid
color: Off-White to Pale Orange
CAS DataBase Reference: 1939-27-1(CAS DataBase Reference)
NIST Chemistry Reference: 3'-Trifluoromethylisobutyranilide(1939-27-1)

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Safety

Hazard Codes: Xn,N
Risk Statements: 48/22-51/53
Safety Statements: 22-36-61

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H373May cause damage to organs through prolonged or repeated exposure

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P314Get medical advice/attention if you feel unwell.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: M331270
Product name: 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide
Packaging: 2.5g
Price: $180
Updated: 2021/12/16

Matrix Scientific

Product number: 172212
Product name: 3'-Trifluoromethyl-iso-butyranilide
Packaging: 1g
Price: $100
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0012632
Product name: 3'-TRIFLUOROMETHYL-ISO-BUTYRANILIDE
Purity: 95.00%
Packaging: 1G
Price: $673.08
Updated: 2021/12/16

AK Scientific

Product number: 4524BA
Product name: 3'-Trifluoromethylisobutyranilide
Packaging: 10g
Price: $398
Updated: 2021/12/16

Medical Isotopes, Inc.

Product number: 41614
Product name: 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide
Packaging: 25g
Price: $2200
Updated: 2021/12/16

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3'-Trifluoromethylisobutyranilide Chemical Properties,Usage,Production

Uses

2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide is used as a reagent to synthesize Flutamide (F598850), an oral nonsteroidal antiandrogen that is hepatotoxic and commonly used to treat patients with prostate cancer.

Synthesis

563-83-7

401-81-0

1939-27-1

GENERAL METHOD: A mixture of cobalt(II) oxalate dihydrate (Sigma-Aldrich, 0.294 mmol), Cs2CO3 (2.94 mmol), isobutyramide (1.47 mmol), DMEDA (0.588 mmol), distilled water (0.3 mL), and 3-iodobenzotrifluoride (2.205 mmol) was added to a reaction vial containing a polytetrafluoroethylene sealed screw cap in an 8.0 mL reaction flask. The reaction mixture was stirred in a closed system at 120°C to 130°C for 24 hours. The non-homogeneous mixture was then cooled to room temperature and diluted with CH2Cl2. The combined organic extracts were dried with anhydrous Na2SO4, filtered and the solvent removed under reduced pressure. The crude product was loaded onto a silica gel column using a minimal amount of CH2Cl2 and purified by column chromatography to afford N-(3-(trifluoromethyl)phenyl)isobutyramide. The structure and purity of the product were confirmed by 1H NMR and 13C NMR spectral analysis.

References

[1] Synlett, 2015, vol. 26, # 12, p. 1697 - 1701

3'-Trifluoromethylisobutyranilide Preparation Products And Raw materials

Raw materials

Isobutyryl chloride

Preparation Products

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3'-Trifluoromethylisobutyranilide Suppliers

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1939-27-1, 3'-TrifluoromethylisobutyranilideRelated Search:

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3'-TRIFLUOROMETHYL-ISO-BUTYRANILIDE

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2-methyl-n-(alpha,alpha,alpha-trifluoro-m-tolyl)propionamide

TIMTEC-BB SBB008101

2-methyl-N-[3-(trifluoromethyl)phenyl]propionamide

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2-Methyl-N-(a,a,a-trifluoro-M-tolyl)propionaMide

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Flutamide EP Impurity E

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Flutamide Impurity E

3'-trifluoromethylisobutyranilide

1939-27-1