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  2. 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propenyl)-,(6R,7R)-

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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)-

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propenyl)-,(6R,7R)-

C/C=C/C1=C(C(=O)O)N2[C@H](SC1)[C@@H](C2=O)NC(=O)[C@@H](c1ccc(cc1)O)N Request for Quotation
Chemical Name: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(1-propenyl)-,(6R,7R)-
CAS Number: 92665-29-7
Product Number: AG00629I(AGN-PC-0W0MV7)
Synonyms:
MDL No:
Molecular Formula: C18H19N3O5S
Molecular Weight: 389.4256

Identification/Properties

Properties
MP:
215-217℃ (dec.)
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
389.426g/mol
XLogP3:
-1.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
5
Exact Mass:
389.105g/mol
Monoisotopic Mass:
389.105g/mol
Topological Polar Surface Area:
158A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
699
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound $name$ is utilized in chemical synthesis as a key intermediate for the production of advanced pharmaceuticals. Its unique structure, (6S,7R)-7-((R)-2-amino-2-(4-hydroxyphenyl)acetamido)-8-oxo-3-((E)-prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, enables it to act as a versatile building block in the creation of complex organic molecules. By incorporating this compound into synthetic pathways, chemists can introduce specific functional groups, stereochemistry, and ring structures crucial for the development of novel drug candidates and fine chemicals. Its strategic placement and reactivity within chemical reactions make it a valuable tool for achieving precise control over molecular arrangements and properties in synthesis.