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872624-52-7

872624-52-7 Structure

872624-52-7 Structure
IdentificationBack Directory
[Name]

methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
[CAS]

872624-52-7
[Synonyms]

Methyl 2-amino-4-trifluoromethyl-5-iodobenzoate
methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate 97%
2-AMino-5-iodo-4-trifluoroMethyl-benzoic acid Methyl ester
Benzoic acid, 2-aMino-5-iodo-4-(trifluoroMethyl)-, Methyl ester
Benzoicacid, 2-amino-5-iodo-4-(trifluoromethyl)-, methyleste...
[Molecular Formula]

C9H7F3INO2
[MDL Number]

MFCD11111107
[MOL File]

872624-52-7.mol
[Molecular Weight]

345.06
Chemical PropertiesBack Directory
[Boiling point ]

347.4±42.0 °C(Predicted)
[density ]

1.863±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

0.72±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate(872624-52-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-AMINO-4-TRIFLUOROMETHYL-BENZOIC ACID METHYL ESTER

61500-87-6

methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

872624-52-7

Step 3: Preparation of methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate; A solution of methyl 2-amino-4-(trifluoromethyl)benzoate (178 g, 812 mmol) in ethanol (3.3 L) was slowly added to a suspension in ethanol (5 L) containing iodine (206.1 g, 812 mmol) and silver(II) sulfate (253 g, 812 mmol). . The reaction was stirred at room temperature and under nitrogen protection for 2 hours. After completion of the reaction, the reaction mixture was filtered through a diatomaceous earth pad and the pad was washed with ethanol (2 L). The filtrate and washings were combined and concentrated under reduced pressure at 40°C to remove the solvent. The resulting residue was dissolved in ethyl acetate (7.5 L) and washed sequentially with saturated sodium bicarbonate solution (3 x 1.5 L), water (3 x 1.5 L) and brine (2 L). The organic phase was dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to afford methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate as a light brown crystalline solid (276.0 g, 99% yield).

[References]

[1] Patent: WO2006/2342, 2006, A1. Location in patent: Page/Page column 56
[2] Patent: WO2006/108591, 2006, A1. Location in patent: Page/Page column 10; 66
[3] Chinese Chemical Letters, 2017, vol. 28, # 6, p. 1248 - 1251
[4] Patent: WO2013/38390, 2013, A1. Location in patent: Page/Page column 64; 65
[5] ChemMedChem, 2017, vol. 12, # 3, p. 197 - 201
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