Proline, 5-oxo-, 1,1-dimethylethyl ester


Chemical Name: Proline, 5-oxo-, 1,1-dimethylethyl ester
CAS Number: 35418-16-7
Product Number: AG003CLB(AGN-PC-0O98RW)
Synonyms:
MDL No: MFCD06659481
Molecular Formula: C9H15NO3
Molecular Weight: 185.2203

Identification/Properties


Properties
MP:
102.0 to 108.0 °C
BP:
319.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
185.223g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
185.105g/mol
Monoisotopic Mass:
185.105g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
230
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



(S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate is a versatile compound widely used in chemical synthesis due to its ability to act as a chiral building block. This compound is crucial for asymmetric synthesis processes, where it serves as a key intermediate in the creation of chiral molecules. Its unique molecular structure enables it to participate in various reactions facilitating the formation of complex organic compounds with high stereochemical purity.In chemical synthesis, (S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate plays a significant role in the creation of pharmaceuticals, agrochemicals, and fine chemicals. Its chirality is particularly valuable in the development of new drugs, as the stereochemistry of molecules often influences their biological activity and interactions within biological systems. By incorporating this compound into synthetic pathways, chemists can efficiently access enantiomerically pure compounds essential for the development of pharmacologically active substances.Furthermore, (S)-tert-Butyl 5-oxopyrrolidine-2-carboxylate can be utilized in the synthesis of natural products, functional materials, and other molecules of interest in the chemical industry. Its versatility and reliability make it a valuable tool for researchers and synthetic chemists aiming to construct complex molecules with precise stereochemistry. The compound's role in chemical synthesis underscores its significance in advancing the field of organic chemistry and facilitating the creation of diverse and structurally intricate compounds.