(S)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate


Chemical Name: (S)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
CAS Number: 1189152-81-5
Product Number: AG00971E(AGN-0096VU)
Synonyms:
MDL No:
Molecular Formula: C15H20BrNO2
Molecular Weight: 326.2288

Identification/Properties


Computed Properties
Molecular Weight:
326.234g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
325.068g/mol
Monoisotopic Mass:
325.068g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



(S)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate is a valuable compound in chemical synthesis, particularly in the field of asymmetric synthesis. This chiral building block plays a crucial role in the creation of pharmaceuticals, agrochemicals, and materials with specified stereochemistry. The unique structure of this compound allows for precise control over the stereochemical outcome of reactions, making it an essential tool for researchers striving to synthesize enantiomerically pure compounds. Its application in the synthesis of biologically active molecules and complex organic compounds highlights its significance in the realm of chemical research and development.