1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester,(2S-trans)-


Chemical Name: 1,2-Pyrrolidinedicarboxylic acid, 4-phenyl-, 1-(1,1-dimethylethyl) ester,(2S-trans)-
CAS Number: 96314-29-3
Product Number: AG0039Q8(AGN-PC-0W5XTC)
Synonyms:
MDL No:
Molecular Formula: C16H21NO4
Molecular Weight: 291.3422

Identification/Properties


Computed Properties
Molecular Weight:
291.34g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
291.147058g/mol
Monoisotopic Mass:
291.147058g/mol
Topological Polar Surface Area:
66.8Ų
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
396
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



(2S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid, when used in chemical synthesis, serves as a crucial building block for constructing various biologically active compounds. With its chiral center and functional groups, this compound is particularly valuable in asymmetric synthesis, enabling the creation of enantiopure molecules with high stereochemical control. By incorporating this compound into synthetic pathways, chemists can access a diverse range of pharmaceuticals, agrochemicals, and materials with enhanced selectivity and efficacy. The versatility and utility of (2S,4S)-1-(tert-Butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid make it an indispensable tool for modern organic synthesis strategies.