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methyl 5-bromo-2,3-dihydroxybenzoate

Product Name
methyl 5-bromo-2,3-dihydroxybenzoate
CAS No.
105603-49-4
Chemical Name
methyl 5-bromo-2,3-dihydroxybenzoate
Synonyms
4-Piperidinepropanol,6-hydroxy-;methyl 5-bromo-2,3-dihydroxybenzoate;5-BroMo-2,3-dihydroxybenzoic Acid Methyl Ester;Benzoic acid, 5-bromo-2,3-dihydroxy-, methyl ester
CBNumber
CB42515298
Molecular Formula
C8H7BrO4
Formula Weight
247.04
MOL File
105603-49-4.mol
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methyl 5-bromo-2,3-dihydroxybenzoate Property

Melting point:
119-123oC
Boiling point:
334.8±37.0 °C(Predicted)
Density 
1.759±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Ethyl Acetate (Slightly)
pka
8.02±0.15(Predicted)
form 
Solid
color 
Off-White to Pale Beige
InChI
InChI=1S/C8H7BrO4/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,10-11H,1H3
InChIKey
DADZQRYTHXRMPM-UHFFFAOYSA-N
SMILES
C(OC)(=O)C1=CC(Br)=CC(O)=C1O
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC
Product number
B684115
Product name
5-Bromo-2,3-dihydroxybenzoicAcidMethylEster
Packaging
1g
Price
$150
Updated
2021/12/16
AK Scientific
Product number
2153DL
Product name
Methyl5-bromo-2,3-dihydroxybenzoate
Packaging
250mg
Price
$114
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
44009
Product name
5-Bromo-2,3-dihydroxybenzoicAcidMethylEster
Packaging
1g
Price
$650
Updated
2021/12/16
Matrix Scientific
Product number
128792
Product name
5-Bromo-2,3-dihydroxybenzoicacidmethylester
Packaging
1g
Price
$1000
Updated
2021/12/16
Matrix Scientific
Product number
128792
Product name
5-Bromo-2,3-dihydroxybenzoicacidmethylester
Packaging
5g
Price
$2400
Updated
2021/12/16
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methyl 5-bromo-2,3-dihydroxybenzoate Chemical Properties,Usage,Production

Chemical Properties

methyl 5-bromo-2,3-dihydroxybenzoate is Pale Yellow Solid

Uses

methyl 5-bromo-2,3-dihydroxybenzoate is used in the preparation of hydroxyalbuterol and bisubstrate inhibitors. Displays low inhibitory activity towards sn-glycerol-3-phosphate oxidase of Trypanosoma brucei brucei.

Synthesis

67-56-1

72517-15-8

105603-49-4

General procedure for the synthesis of methyl 5-bromo-2,3-dihydroxybenzoate from methanol and 5-bromo-2,3-dihydroxybenzoic acid: firstly, thionyl chloride (0.35 mL, 4.8 mmol) was mixed with methanol (5.4 mL) and stirred at room temperature for 30 min. Subsequently, 5-bromo-2,3-dihydroxybenzoic acid (600 mg, 2.57 mmol) was added to the mixture. The reaction mixture was continued to be stirred at room temperature for 2 hours and then heated to reflux for 7 hours. After completion of the reaction, the mixture was cooled and concentrated to give a brown solid. Finally, purification by column chromatography (using a 2.5 cm × 25 cm column with an eluent ratio of 1:4 ethyl acetate/hexane, which was subsequently adjusted to 1:1 ethyl acetate/hexane) afforded the target product methyl 5-bromo-2,3-dihydroxybenzoate (500 mg, 78% yield).

References

[1] Bioorganic and Medicinal Chemistry Letters, 1996, vol. 6, # 19, p. 2279 - 2280
[2] Patent: US2003/225091, 2003, A1. Location in patent: Page 63
[3] Patent: US2005/137162, 2005, A1. Location in patent: Page/Page column 6
[4] Chemistry - A European Journal, 2011, vol. 17, # 23, p. 6369 - 6381
[5] Patent: EP3404033, 2018, A1. Location in patent: Paragraph 0143-0144

methyl 5-bromo-2,3-dihydroxybenzoate Preparation Products And Raw materials

Raw materials

Preparation Products

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methyl 5-bromo-2,3-dihydroxybenzoate Suppliers

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105603-49-4, methyl 5-bromo-2,3-dihydroxybenzoateRelated Search:


  • methyl 5-bromo-2,3-dihydroxybenzoate
  • 5-BroMo-2,3-dihydroxybenzoic Acid Methyl Ester
  • Benzoic acid, 5-bromo-2,3-dihydroxy-, methyl ester
  • 4-Piperidinepropanol,6-hydroxy-
  • 105603-49-4
  • Amines, Aromatics, Pharmaceuticals, Intermediates & Fine Chemicals