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PHT-GLY-OTBU

PHT-GLY-OTBU structure

PHT-GLY-OTBU 

structure
  • CAS No:

    6297-93-4

  • Formula:

    C14H15NO4

  • Chemical Name:

    PHT-GLY-OTBU

  • Synonyms:

    NSC126801;PHT-GLY-OTBU;Phthaloyl-glycinetertutylester;PHTHALYL-GLYCINE T-BUTYL ESTER;PHTHALOYL-GLYCINE T-BUTYL ESTER;Phthaloyl-glycine tert·butyl ester

PHT-GLY-OTBU Basic Attributes

261.27

261.1

126801|45837

Characteristics

63.7

2.2

1.245±0.06 g/cm3(Predicted)

96.0-97.5 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))

370.8°C at 760 mmHg

Safety Information

P264, P270, P273, P301+P310, P321, P330, P391, P405, P501

H301

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P391, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

PHT-GLY-OTBU Use and Manufacturing

tert-Butyl bromoacetate (10 g, 51 mmol) was charged to a 250 mL 3-neck flask fitted with a thermocouple, nitrogen inlet tube and magnetic stirrer. The flask was charged with acetone (100 mL) and tetrabutylammonium bromide (0.8 g, 2.5 mmol) was added. Potassium phthalimide was next added in one portion and the flask was heated to 45 °C for 15 h. After this time the reaction mixture was cooled to 21 C and the acetone was removed by concentration on a rotovap. EtOAc (100 mL) and water (30 mL) were added. The biphasic mixture was allowed to stir at 21 C for 20 min then the layers were separated. The organic layer was washed with saturated Na

Computed Properties

Molecular Weight:261.27
XLogP3:2.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:261.10010796
Monoisotopic Mass:261.10010796
Topological Polar Surface Area:63.7
Heavy Atom Count:19
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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