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56893-25-5

56893-25-5 Structure

56893-25-5 Structure
IdentificationBack Directory
[Name]

4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER
[CAS]

56893-25-5
[Synonyms]

Fs005025
Methyl 4-(BroMoacetyl)benzoate
Methyl p-(BroMoacetyl)benzoate
Methyl 4-(2-bromoacetyl)benzoate
α-BroMo-4-(carboMethoxy)acetophenone
4-(2-Bromoacetyl)benzoic acid methyl este
4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER
Benzoic acid, 4-(2-broMoacetyl)-, Methyl ester
ω-BroMoacetophenone-4-carboxylic Αcid Methyl Ester
4-(Methoxycarbonyl)phenacyl bromide, 2-Bromo-4'-(methoxycarbonyl)acetophenone
[Molecular Formula]

C10H9BrO3
[MDL Number]

MFCD08062347
[MOL File]

56893-25-5.mol
[Molecular Weight]

257.08
Chemical PropertiesBack Directory
[Boiling point ]

342.8±22.0 °C(Predicted)
[density ]

1.494±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[color ]

Beige
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2917399590
Hazard InformationBack Directory
[Uses]

A phenacyl bromide
[Synthesis]

METHYL 4-ACETYLBENZOATE

3609-53-8

4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER

56893-25-5

General procedure for the synthesis of methyl 4-(2-bromoacetyl)benzoate from methyl 4-acetylbenzoate: Bromine (2.71 mL, 52.5 mmol) was added dropwise to a solution of methyl 4-acetylbenzoate (8.91 g, 50.0 mmol) in acetic acid (80 mL). The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the mixture was cooled to 0 °C and filtered to collect the solid. The resulting precipitate was washed with a 1:1 mixed methanol-water solution and subsequently dried to afford methyl 4-(2-bromoacetyl)benzoate (10.6 g, 82% yield) as a brown solid. The product was characterized by 1H NMR (400 MHz, CDCl3) with chemical shifts of δ 8.19-8.12 (m, 2H), 8.04 (d, J = 8.5 Hz, 2H), 4.47 (s, 2H), 3.96 (s, 3H).

[References]

[1] Journal of the American Chemical Society, 2000, vol. 122, # 39, p. 9361 - 9366
[2] Patent: WO2006/78698, 2006, A1. Location in patent: Page/Page column 64
[3] Patent: US2012/196869, 2012, A1. Location in patent: Paragraph 0467; 0468; 0469
[4] Inorganic Chemistry, 2018, vol. 57, # 1, p. 120 - 128
[5] Patent: WO2008/33745, 2008, A2. Location in patent: Page/Page column 70-71
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER(56893-25-5)1HNMR
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