3,8-Diazabicyclo[3.2.1]octane, 8-(phenylmethyl)-


Chemical Name: 3,8-Diazabicyclo[3.2.1]octane, 8-(phenylmethyl)-
CAS Number: 93428-56-9
Product Number: AG0063DD(AGN-PC-0NBJKR)
Synonyms:
MDL No:
Molecular Formula: C13H18N2
Molecular Weight: 202.2954

Identification/Properties


Properties
BP:
309.164 °C at 760 mmHg
Storage:
Room Temperature;Light sensitive;Inert atmosphere;
Computed Properties
Molecular Weight:
202.301g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
202.147g/mol
Monoisotopic Mass:
202.147g/mol
Topological Polar Surface Area:
15.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



8-Benzyl-3,8-diazabicyclo[3.2.1]octane, commonly known as BDBO, is a versatile compound widely used in chemical synthesis. This bicyclic amine has found significant application as a powerful catalyst in various organic reactions. In particular, BDBO is employed in asymmetric synthesis as a chiral phase-transfer catalyst for a range of transformations including Michael additions, aldol reactions, and nucleophilic substitutions. Its unique structural features and high reactivity make it a valuable tool in accessing enantiomerically enriched compounds with high yields and selectivity. Additionally, BDBO is known for its ability to facilitate transformations with challenging substrates, making it a preferred choice in complex molecule synthesis.