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Home > Encyclopedia > 1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate

1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate

1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate structure

1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate 

structure
  • CAS No:

    30448-43-2

  • Formula:

    C16H22O4

  • Chemical Name:

    1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1,2-bis(1,1-dimethylethyl) ester;Phthalic acid,di-tert-butyl ester;1,2-Benzenedicarboxylic acid,bis(1,1-dimethylethyl) ester;1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate;Di-tert-butyl phthalate;Di-tert-butyl o-phthalate

1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate Basic Attributes

278.34348

278.34

250-204-0

DTXSID10184527

2917349000

Characteristics

52.6

3.5

1.052g/cm3

184-185 °C

381.16°C (rough estimate)

149.5ºC

1.498

1.1mg/L(25 ºC)

1,2-Bis(1,1-dimethylethyl) 1,2-benzenedicarboxylate Use and Manufacturing

General procedure: To a 500 ml four-necked flask equipped with a stirring, a thermometer, a distillation apparatus, and a constant pressure dropping funnel, 200 g of toluene and 17.0 g of potassium t-butoxide (0.15 mol) were added, and the mixture was heated to an internal temperature of 100-105 C. 27.8 g (0.1 mol) of To a 500 ml four-necked flask equipped with a stirring, a thermometer, a distillation apparatus, and a constant pressure dropping funnel, 200 g of toluene and 17.0 g of potassium t-butoxide (0.15 mol) were added, and the mixture was heated to an internal temperature of 100-105 C. 27.8 g (0.1 mol) of General procedure: A 200 mL four-necked flask was charged with maleic acid (16.3 g, 140 mmol), toluene (10 mL)Diisopropyl ether (30 mL), Sulfuric acid (0.18 mL) was added, and while maintaining the reaction suspension at 30 C., Normal pressure bubbling of isobutene was carried out for 4 hours.An excess amount of isobutene was discharged to the outside of the flask through a paraffin bubbler. The reaction mixture was washed with a saturated aqueous sodium hydrogen carbonate solution (50 mL × 3 times) and saturated brine (50 mL), dried over magnesium sulfate and the solvent was distilled off under reduced pressure to give maleic acid Di (tert-butyl) ester (23.0 g, 100.8 mmol, yield 72%). The reaction was carried out in the same manner as in except that the reaction temperature was changed from 30 C. to 40 C. As a result, maleic acid Di (tert-butyl) ester(24.1 g, 105.6 mmol, yield 75%).

Computed Properties

Molecular Weight:278.34
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:278.15180918
Monoisotopic Mass:278.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:20
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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