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Home > Encyclopedia > 4-Bromo-3,5-dimethoxybenzoic acid

4-Bromo-3,5-dimethoxybenzoic acid

4-Bromo-3,5-dimethoxybenzoic acid structure

4-Bromo-3,5-dimethoxybenzoic acid 

structure
  • CAS No:

    56518-42-4

  • Formula:

    C9H9BrO4

  • Chemical Name:

    4-Bromo-3,5-dimethoxybenzoic acid

  • Synonyms:

    Benzoic acid,4-bromo-3,5-dimethoxy-;4-Bromo-3,5-dimethoxybenzoic acid;3,5-Dimethoxy-4-bromobenzoic acid

Description

Solid

4-Bromo-3,5-dimethoxybenzoic acid Basic Attributes

261.07

261.07

DTXSID70378849

2918990090

Characteristics

55.8

2.1

1.6±0.1 g/cm3

254-258 °C(lit.)

371.2°C at 760 mmHg

178.3±27.9 °C

1.566

Safety Information

NONH for all modes of transport

3

36/37/38

26-36/37/39-24/25

4-Bromo-3,5-dimethoxybenzoic acid Use and Manufacturing

General procedure: To a methanol solution (8 mL) of dichloroacetic acid (25.8 mg, 0.2 mmol) was added benzylamine (21.4 mg, 0.2 mmol) withconstant stirring for 5 min, then the solutionwas filtered into a testtube. The solution was left standing at room temperature for 12days, colorless crystals were isolated after slow evaporation of themethanol solution in air. The crystals were collected and dried in airto give (benzylamine): (dichloroacetic acid) [(HL)+. (dca-)] (1).General procedure: To a solution of intermediate 14a (1g, 5.13mmol), 3-formylbenzoic acid (0.85g, 5.64mmol), and HATU (2.92g, 7.69mmol) in DMF (15mL) was added DIPEA (3.31g, 25.63mmol). The mixture was stirred at room temperature for 3h. After that time, the solution was poured into water. The precipitate was filtered off to give a residue, which was triturated with ether to give compound 15a (1.37g, 81.7%).A mixture of

Computed Properties

Molecular Weight:261.07
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:259.96842
Monoisotopic Mass:259.96842
Topological Polar Surface Area:55.8
Heavy Atom Count:14
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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