ChemicalBook > CAS DataBase List > 4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER

4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER

Product Name
4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER
CAS No.
128577-47-9
Chemical Name
4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER
Synonyms
-3-fluorobenzoate;4-(bromomethyl)-3-fluorobenzoic acid;Methyl 4-bromomethyl-3-fluorobenzoat;Methyl 4-broMoMethyl-3-fluorobenzoate;MMETHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE;4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL;4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER;Methyl 4-(bromomethyl)-3-fluorobenzoate, 98%min;Benzoicacid, 4-(bromomethyl)-3-fluoro-, methyl ester
CBNumber
CB4176505
Molecular Formula
C9H8BrFO2
Formula Weight
247.06
MOL File
128577-47-9.mol
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4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER Property

Melting point:
68 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Boiling point:
295.1±35.0 °C(Predicted)
Density 
1.534±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
form 
solid
color 
White
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Safety

HS Code 
2916399090
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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

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

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

P280Wear protective gloves/protective clothing/eye protection/face protection.

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
M296275
Product name
Methyl4-(bromomethyl)-3-fluorobenzoate
Packaging
500mg
Price
$125
Updated
2021/12/16
TRC
Product number
M296275
Product name
Methyl4-(bromomethyl)-3-fluorobenzoate
Packaging
100mg
Price
$45
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB30701
Product name
4-Bromomethyl-3-fluorobenzoic acid methyl ester
Packaging
250mg
Price
$125
Updated
2021/12/16
SynQuest Laboratories
Product number
2723-B-21
Product name
Methyl 4-(bromomethyl)-3-fluorobenzoate
Packaging
5G
Price
$984
Updated
2021/12/16
AK Scientific
Product number
Z4066
Product name
Methyl4-(bromomethyl)-3-fluorobenzoate
Packaging
10g
Price
$416
Updated
2021/12/16
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4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER Chemical Properties,Usage,Production

Uses

Methyl 4-(bromomethyl)-3-fluorobenzoate

Synthesis

87808-48-8

128577-47-9

Bromination reaction: Methyl 3-fluoro-4-methylbenzoate (18.3 mmol) was dissolved with N-bromosuccinimide (NBS, 3.9 g, 22 mmol) in carbon tetrachloride (40 mL), and benzoyl peroxide (0.55 g, 1.7 mmol) containing 25% water was added as initiator. The reaction mixture was stirred well and heated to reflux for 6 hours. Upon completion of the reaction, the solvent was removed by evaporation and the residue was treated with an aqueous solution of potassium carbonate (K2CO3) followed by extraction of the product with ethyl acetate (EtOAc). After treatment, methyl 3-fluoro-4-(bromomethyl)benzoate was obtained as a light yellow solid in a yield of 5.9 g. The product was analyzed by electrospray ionization mass spectrometry (ESI-MS), which showed the [M + H]+ peak as 247 Da.

References

[1] Patent: WO2014/102376, 2014, A1. Location in patent: Page/Page column 45
[2] Patent: WO2014/102377, 2014, A1. Location in patent: Page/Page column 49-50
[3] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 6058 - 6080
[4] Synlett, 2014, vol. 25, # 17, p. 2485 - 2487
[5] Patent: US2006/14945, 2006, A1. Location in patent: Page/Page column 60

4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER Suppliers

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128577-47-9, 4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTERRelated Search:

4-(Bromomethyl)phenylaceticacidphenacylester 4-(ISOCYANOMETHYL)BENZOIC ACID METHYL ESTER Methyl 4-trifluoromethylbenzoate METHYL (4-HYDROXYMETHYL)BENZOATE Methyl 3-(Bromomethyl)-4-chlorobenzoate Methyl 3-fluoro-4-forMylbenzoate METHYL 4-(BROMOMETHYL)-3-CHLOROBENZOATE Methyl 4-(bromomethyl)benzoate Methyl-4-(4-Fluorophenyl)-4-oxobutanoate 4-Bromomethyl-2,6-difluoro-benzoic acid methyl ester METHYL 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZOATE Methyl 4-chlorocarbonylbenzoate 3-Fluoro-4-methylbenzoic acid 2-FLUORO-4-METHYLBENZYL BROMIDE 4-(BROMOMETHYL)BENZALDEHYDE 4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER 4-Bromomethylbenzoic acid 4-Methylbenzyl bromide

  • 4-(bromomethyl)-3-fluorobenzoic acid
  • Methyl 4-broMoMethyl-3-fluorobenzoate
  • Methyl 4-bromomethyl-3-fluorobenzoat
  • -3-fluorobenzoate
  • 4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL
  • 4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER
  • MMETHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE
  • Benzoicacid, 4-(bromomethyl)-3-fluoro-, methyl ester
  • Methyl 4-(bromomethyl)-3-fluorobenzoate, 98%min
  • 128577-47-9