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BOC-BETA-ALA-OSU

BOC-BETA-ALA-OSU structure

BOC-BETA-ALA-OSU 

structure
  • CAS No:

    32703-87-0

  • Formula:

    C12H18N2O6

  • Chemical Name:

    BOC-BETA-ALA-OSU

  • Synonyms:

    BOC-BETA-ALANINE HYDROXYSUCCINIMIDE ESTER;BOC-BETA-ALANINE N-HYDROXYSUCCINIMIDE ESTER;BOC-BETA-ALANINE-OSU;BOC-BETA-ALA-OSU;N-BETA-T-BOC-BETA-ALANINE N-HYDROXYSUCCINIMIDE ESTER;Boc-β-Alanine N-hydroxysuccinimide ester;BOC-B-ALANINE HYDROXYSUCCINIMIDESTER;2,5-dioxopyrrolidin-1-yl 3-(tert-butoxycarbonylamino)propanoate

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

White to off-white powder

BOC-BETA-ALA-OSU Basic Attributes

286.28

286.11600

DTXSID90443523

2925190090

Characteristics

102

-0.1

1.282 g/cm3

-15°C

BOC-BETA-ALA-OSU Use and Manufacturing

In a dry flask containing a magnetic stir bar, 0.50 g of 1 (2.64 mmol) and 0.31 g of N-hydroxysuccinimide (SuOH) (2.72 mmol, 1.03 equivalent) were dissolved in 3mL of distilled dioxane. Subsequently, 1.25 equivalent of 3-(ethyliminomethyleneamino)-N, N-dimethylpropan-l-amine in hydrogen chloride form (EDC) (0.63 g, 3.3 mmol) was added into the flask. The solution was cloudy, and 2mL of freshly distilled dioxane was added into the reaction mixture. The reaction mixture was stirred under nitrogen for 30 minutes and then left for stirring overnight at room temperature. Dioxane was removed under vacuum. The residue was dissolved in chloroform and washed with water (3x). The organic layer was dried of over Na

Computed Properties

Molecular Weight:286.28
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:286.11648630
Monoisotopic Mass:286.11648630
Topological Polar Surface Area:102
Heavy Atom Count:20
Complexity:410
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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