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Home > Encyclopedia > 7-Amino-2(3H)-benzoxazolone

7-Amino-2(3H)-benzoxazolone

7-Amino-2(3H)-benzoxazolone structure

7-Amino-2(3H)-benzoxazolone 

structure
  • CAS No:

    81282-60-2

  • Formula:

    C7H6N2O2

  • Chemical Name:

    7-Amino-2(3H)-benzoxazolone

  • Synonyms:

    2(3H)-Benzoxazolone,7-amino-;2-Benzoxazolinone,7-amino-;7-Amino-2(3H)-benzoxazolone;7-Amino-2-benzoxazolone;7-Amino-1,3-benzoxazol-2(3H)-one;7-Aminobenzo[d]oxazol-2(3H)-one;7-Amino-3H-benzoxazol-2-one

  • Categories:

    Pharmaceutical Intermediates  >  Antipsychotics

Description

Tan Solid

7-Amino-2(3H)-benzoxazolone Basic Attributes

150.14

150.13

462-910-8

4735Y92350

DTXSID80231037

2934999090

Characteristics

64.4

0.5

1.4±0.1 g/cm3

1.660

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

7-Amino-2(3H)-benzoxazolone Use and Manufacturing

Methods of Manufacturing

Preparation of 7-aminobenzo[d]oxazol-2(3H)-one 1c107.5 g (1 mole) of 5-chloro-7-nitro-2(3H)-benzoxazolone prepared according to Example 1d was suspended in 1000 ml of ethanol. EXAMPLE 1E. Preparation of 7-AMINO-2 (3H)-BENZOXAZOLONE. 107.5 g (1 mole) of 5-chloro-7-nitro-2 (3H)-BENZOXAZOLONE prepared according to Example 1D was suspended in 1000 ml of ethanol. 9.25 g of Pd/C 5percent and 50 ml of ethanol were added and the mixture was hydrogenated at 4 bar hydrogen pressure for four to six hours at 60-65°C while vigorously stirring. When the hydrogenation was complete, the mixture was cooled to 45°C and filtered over HYFLOO. The HYFLOO was washed twice with 175 ml of methanol. 500 ml of solvent was distilled off under reduced pressure at 50°C, followed by addition of 250 ML of water and removal of 300 mi of solvent was by distillation under reduced pressure at 50°C. The last procedure was repeated twice and finally 250 ml of water was added and 400 ml of solvent was distilled of. The resulting mixture was cooled to 0-5°C in about one hour. The solid was filtered off and, washed three times with 125 ml of cold water, and dried at 50°C and 100 mbar under a gentle nitrogen stream till dry. Yield about 94percent.107.5 g (1 mole) of 5-chloro-7-nitro-2(3H)-benzoxazolone prepared according to Example 1d was suspended in 1000 ml of ethanol. Step 2 Step 3 To a solution of 7-nitrobenzo[d]oxazol-2(3H)-one (14.4 g, 80 mmol) in EtOH (125 mL) in a Berghof reactor was added under NITROGEN 10percent Pd on C (0.5 g) and the mixture was placed under 8 bars of H

Uses

Intermediate for the preparation of bifeprunox mesylate

Computed Properties

Molecular Weight:150.13
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:150.042927438
Monoisotopic Mass:150.042927438
Topological Polar Surface Area:64.4
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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