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BENZYL 3-OXOCYCLOBUTYLCARBAMATE

BENZYL 3-OXOCYCLOBUTYLCARBAMATE structure

BENZYL 3-OXOCYCLOBUTYLCARBAMATE 

structure
  • CAS No:

    130369-36-7

  • Formula:

    C12H13NO3

  • Chemical Name:

    BENZYL 3-OXOCYCLOBUTYLCARBAMATE

  • Synonyms:

    BENZYL 3-OXOCYCLOBUTYLCARBAMATE;(3-Oxo-cyclobutyl)-carbamic acid benzyl ester;N-(Benzyloxycarbonyl)-3-amino-1-cyclobutanone;(3-Oxocyclobutyl)carbamic acid phenylmethyl ester;benzyl N-(3-oxocyclobutyl)carbamate;Carbamic acid, N-(3-oxocyclobutyl)-, phenylmethyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Immunological Agents

BENZYL 3-OXOCYCLOBUTYLCARBAMATE Basic Attributes

219.239

219.089539

1533716-785-6

DTXSID50599999

2924299090

Characteristics

55.4

1

1.22

403.3±44.0 °C(Predicted)

197.7±28.4 °C

1.564

1.03E-06mmHg at 25°C

BENZYL 3-OXOCYCLOBUTYLCARBAMATE Use and Manufacturing

Compound 8: l-(3-((((2R, 3S, 4R, 5R)-5-(6-amino-9H-purin-9-yl)-3, 4- dihydroxytetrahydrofuran-2-yl)methyl)(methyl)amino)cyclobutyl)-3-(4-(tert- butyl)phenyl)ureaBenzyl (3-oxocyclobutyl)carbamate[0665] To a solution of 3-oxocyclobutanecarboxylic acid (1.0 g, 8.77 mmol) and DIEA (1.92 g, 14.92 mmol) in toluene (8 mL) was added DPPA (2.89 g, 10.52 mmol) at rt. The mixture was heated to 60 °C under Argon for 3 h, then benzyl alcohol (1.14 g, 10.52 mmol) was added. The mixture was stirred at 60 °C overnight. The reaction was concentrated, the residue was purified by SGC (PE : EA = 8 : 1) to afford the desired compound (240 mg, yield 50percent). 1H NMR (500MHz, CDC1Step A: (3-Oxo-cyclobutyl)-carbamic acid benzyl ester. A solution of 3-Oxo- cyclobutanecarboxylic acid (1.01 g, 8.8 mmol) and Et

Computed Properties

Molecular Weight:219.24
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:55.4
Heavy Atom Count:16
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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