METHYL 2-BROMO-5-CHLOROBENZOATE Chemical Properties

Melting point:

37-40°C

Boiling point:

278.4±20.0 °C(Predicted)

Density 

1.604±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

powder to lump

color 

White to Orange to Green

Water Solubility 

Slightly soluble in water.

InChI

InChI=1S/C8H6BrClO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3

InChIKey

BIECSXCXIXHDBC-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

27007-53-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

20/22-36/37/38

Safety Statements 

36/37/39-45-37-26

HS Code 

29163990

MSDS

• Language:English Provider:ALFA

METHYL 2-BROMO-5-CHLOROBENZOATE Usage And Synthesis

Chemical Properties

Colorless liquid

Uses

Methyl 2-bromo-5-chlorobenzoate is used as pharmaceutical intermediate.

Synthesis

Step 1. To a stirred solution of 2-bromo-5-chlorobenzoic acid (11 g, 46.7 mmol, HPLC retention time = 2.99 min) in methanol (250 mL) at 0 °C was passed dry HCl gas. The reaction mixture was gradually warmed to room temperature and stirred overnight. Upon completion of the reaction, the mixture was concentrated under reduced pressure to give an orange colored oil. The oily substance was purified by fast column chromatography using hexane as eluent to afford methyl 2-bromo-5-chlorobenzoate as a colorless oil (10.7 g, 92% yield). Thin-layer chromatography (TLC) Rf = 0.6 (5% ethyl acetate-hexane); high-performance liquid chromatography (HPLC) retention time = 3.48 min (Method A); 1H NMR (CDCl3, 400 MHz) δ 7.78 (d, 1H, J = 2.6 Hz), 7.59 (d, 1H, J = 12.8 Hz), 7.30 (dd, 1H, J = 8.6, 2.5Hz), 3.94 (s, 3H).

References

[1] Patent: US2003/13700, 2003, A1
[2] Patent: US6528503, 2003, B2
[3] Patent: US2002/119992, 2002, A1

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