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Home Other Building Blocks TERT-BUTYL 2-BROMO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE

TERT-BUTYL 2-BROMO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE

CAS No.:
1824357-11-0
Catalog Number:
AG01DZ3G
Molecular Formula:
C11H18BrNO2
Molecular Weight:
276.1701
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Product Description
Catalog Number:
AG01DZ3G
Chemical Name:
TERT-BUTYL 2-BROMO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE
CAS Number:
1824357-11-0
Molecular Formula:
C11H18BrNO2
Molecular Weight:
276.1701
MDL Number:
MFCD24536182
IUPAC Name:
tert-butyl 2-bromo-7-azabicyclo[2.2.1]heptane-7-carboxylate
InChI:
InChI=1S/C11H18BrNO2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6H2,1-3H3
InChI Key:
XAOAXVAFLZHABO-UHFFFAOYSA-N
SMILES:
BrC1CC2N(C1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.174g/mol
Monoisotopic Mass:
275.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis of 7-azabicyclo[2.2.1]heptane and 2-oxa-4-azabicyclo[3.3.1]non-3-ene derivatives by base-promoted heterocyclization of alkyl N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)carbamates and N-(cis(trans)-3,trans(cis)-4-dibromocyclohex-1-yl)-2,2,2-trifluoroacetamides. The Journal of organic chemistry 20071109
Properties