BOC-ORN(BOC)-OH
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BOC-ORN(BOC)-OH
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CAS No:
57133-29-6
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Formula:
C15H28N2O6
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Chemical Name:
BOC-ORN(BOC)-OH
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Synonyms:
N,N'-DI-(TERT-BUTYLOXYCARBONYL)-L-ORNITHINE;N,N'-DI-(T-BUTYLOXYCARBONYL)-L-ORNITHINE;N-ALPHA,N-DELTA-DI-T-BUTOXYCARBONYL-L-ORNITHINE;N-ALPHA,DELTA-BIS-BOC-L-ORNITHINE;BOC-L-ORN(BOC);BOC-L-ORN(BOC)-OH;BOC-ORN(BOC)-OH;BOC-ORNITHINE(BOC)-OH
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CAS No:
BOC-ORN(BOC)-OH Use and Manufacturing
The (S)-2, 5-diaminopentanoic acid hydrochloride (1a) (337mg, 2mmol), di (tert-butyl) carbonate ((Boc)L-ornithine hydrochloride (10.00 g, 58.1 mmol) was dissolved in 150 mL of water and cooledto 0°C. 116 mL of 2M NaOH (233 mmol) was added slowly and the reaction mixture wasstirred for 15 min. Di-tert-butyl dicarbonate (29.14 g, 134 mmol) in 100 mL of THF wasadded dropwise over a period of 1 hour and the resulting mixture was stirred for 12 hours atambient temperature. THF was removed under reduced pressure and aqueous phase waswashed with dichloromethane (2 × 60 mL). The pH was adjusted to 3 with 1M HCl andextracted with ethyl acetate, dried with Na2SO4 and evaporated under reduced pressure toafford compound 2 (19.13 g, 99percent) as a white solid.
Computed Properties
Molecular Weight:332.39
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:332.19473662
Monoisotopic Mass:332.19473662
Topological Polar Surface Area:114
Heavy Atom Count:23
Complexity:423
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes