1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester


Chemical Name: 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number: 170844-49-2
Product Number: AG003Q0K(AGN-PC-0K6AHK)
Synonyms:
MDL No: MFCD03791256
Molecular Formula: C12H21NO4
Molecular Weight: 243.2994

Identification/Properties


Properties
BP:
305.592 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
243.303g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
243.147g/mol
Monoisotopic Mass:
243.147g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
295
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



1-tert-Butyl 3-ethyl pyrrolidine-1,3-dicarboxylate is a versatile compound commonly utilized in chemical synthesis as a key building block. This compound serves as a crucial intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. With its unique structure, it enables chemists to introduce specific functional groups or stereochemistry into complex molecules. By incorporating 1-tert-Butyl 3-ethyl pyrrolidine-1,3-dicarboxylate in organic synthesis, researchers can access a diverse array of molecular scaffolds, facilitating the development of new drugs, crop protection agents, and specialty chemicals.