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  2. 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-

S[C@H]1C[C@H](N(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])C(=O)N(C)C Request for Quotation
Chemical Name: 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-
CAS Number: 96034-64-9
Product Number: AG00IJRC(AGN-PC-0W5N9Q)
Synonyms:
MDL No:
Molecular Formula: C15H19N3O5S
Molecular Weight: 353.3935

Identification/Properties

Computed Properties
Molecular Weight:
353.393g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
353.105g/mol
Monoisotopic Mass:
353.105g/mol
Topological Polar Surface Area:
96.7A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
488
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (2S,4S)-4-Nitrobenzyl 2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate plays a pivotal role in chemical synthesis as a versatile building block. Its unique structure facilitates the formation of intricate molecular frameworks through selective reactions. This compound serves as a key intermediate in the synthesis of various pharmaceutical agents, agrochemicals, and functional materials. By incorporating (2S,4S)-4-Nitrobenzyl 2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate into synthetic routes, chemists can access structurally diverse compounds with tailored properties and functionalities. This compound's ability to undergo controlled transformations makes it a valuable tool for the construction of complex organic molecules with precise stereochemistry and substitution patterns.