METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Chemical Properties

Melting point:

53 - 56°C

Boiling point:

340.3±32.0 °C(Predicted)

Density 

1.780±0.06 g/cm3(Predicted)

storage temp. 

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

solubility 

Chloroform (Slightly), Ethyl Acetate (Soluble)

form 

Solid

color 

White to Off-White

Stability:

Hygroscopic, Moisture Sensitive

InChI

InChI=1S/C9H8Br2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,5H2,1H3

InChIKey

ZTDXOVAPGGNGSD-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC=C(CBr)C=C1Br

Safety Information

HS Code 

2916399090

METHYL-2-BROMO-4-BROMOMETHYLBENZOATE Usage And Synthesis

Synthesis

General procedure for the synthesis of methyl 2-bromo-4-bromomethylbenzoate from methyl 2-bromo-4-methylbenzoate: the reaction mixture was placed in a controlled microwave synthesizer of the model Biotage Initiator + SP Wave (power range 0-200 W, frequency 2.45 GHz, 60 W capped at steady state) and heated to 120 °C at 1 bar pressure for for several minutes. Upon completion of the reaction, the target product was isolated and purified by column chromatography using ethyl acetate-hexane gradient elution.

References

[1] Synlett, 2014, vol. 25, # 17, p. 2485 - 2487
[2] Patent: WO2016/89062, 2016, A2. Location in patent: Page/Page column 38; 39
[3] Patent: US2005/70584, 2005, A1. Location in patent: Page/Page column 24
[4] Patent: WO2008/124575, 2008, A1. Location in patent: Page/Page column 144
[5] Patent: WO2017/156165, 2017, A1. Location in patent: Paragraph 00504; 00505

METHYL-2-BROMO-4-BROMOMETHYLBENZOATE(128577-48-0)Related Product Information

• 4-(BROMOMETHYL)BENZALDEHYDE
• 3-BROMO-4-METHYL BENZALDEHYDE
• METHYL-2-BROMO-4-BROMOMETHYLBENZOATE
• 2-Bromo-4-methylbenzoic acid
• 4-Bromomethylbenzoic acid
• Methyl 4-(bromomethyl)benzoate
• METHYL 2-BROMO-4-METHYLBENZOATE