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  2. (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC ACID

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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)-

(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC ACID

O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C Request for Quotation
Chemical Name: (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC ACID
CAS Number: 216439-76-8
Product Number: AG00BF7K(AGN-PC-0WAJTH)
Synonyms:
MDL No:
Molecular Formula: C20H30BNO6
Molecular Weight: 391.2663

Identification/Properties

Computed Properties
Molecular Weight:
391.271g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
391.217g/mol
Monoisotopic Mass:
391.217g/mol
Topological Polar Surface Area:
94.1A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
562
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#:
-
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 (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid plays a crucial role in chemical synthesis as a versatile building block for the creation of novel organic compounds. Specifically, its unique chemical structure enables it to serve as a key intermediate in the synthesis of complex molecules, including pharmaceuticals, agrochemicals, and materials.In organic synthesis, this compound can be utilized as a chiral amino acid derivative, providing a chiral center that imparts stereochemical control in target molecule assembly. By incorporating this compound into synthetic pathways, chemists can efficiently access enantioenriched products with high levels of stereochemical purity. Additionally, the boron-containing moiety in the structure introduces diversity and functionality, enabling further derivatization and customization of the final compound.Moreover, the presence of the tert-butoxycarbonyl (Boc) protecting group offers synthetic flexibility by temporarily blocking reactive sites during chemical transformations, allowing selective modifications to be carried out. This protection-deprotection strategy is essential in the strategic manipulation of functional groups and in the overall synthesis of complex molecules with precise control over regio- and stereochemistry.Overall, the (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid serves as a valuable tool in organic synthesis, facilitating the streamlined construction of diverse molecular architectures with defined stereochemical attributes and functional group manipulations.