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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)-

Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-benzoate

O=C(c1ccccc1)OC[C@@H]1C=C[C@@H](O1)n1cc(C)c(=O)[nH]c1=O Request for Quotation
Chemical Name: Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-benzoate
CAS Number: 122567-97-9
Product Number: AG0080M1(AGN-PC-0O0FW0)
Synonyms:
MDL No:
Molecular Formula: C17H16N2O5
Molecular Weight: 328.3193

Identification/Properties

Computed Properties
Molecular Weight:
328.324g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
328.106g/mol
Monoisotopic Mass:
328.106g/mol
Topological Polar Surface Area:
84.9A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
592
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


The compound ($name$) plays a crucial role in chemical synthesis as a versatile building block. Its unique structure, combining a dihydropyrimidinone moiety with a dihydrofuran and a benzoate group, allows it to participate in a variety of reactions for the creation of complex organic molecules. One key application of ($name$) is as a chiral scaffold for asymmetric synthesis. The (2S,5R) configuration of the molecule imparts stereochemical control, enabling the selective formation of chiral centers in target molecules. This feature makes ($name$) particularly valuable in the synthesis of pharmaceuticals, agrochemicals, and materials with specific stereochemical requirements. Furthermore, the presence of the dihydropyrimidinone ring offers opportunities for further functionalization through diverse chemical transformations, expanding the scope of its synthetic utility. By serving as a reliable source of stereochemical diversity and functional group compatibility, ($name$) proves to be an indispensable tool for chemists seeking to access structurally complex and optically active compounds efficiently.