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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)-

Carbamic acid, [(1S)-3-chloro-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester

ClCC(=O)[C@@H](NC(=O)OC(C)(C)C)C Request for Quotation
Chemical Name: Carbamic acid, [(1S)-3-chloro-1-methyl-2-oxopropyl]-, 1,1-dimethylethylester
CAS Number: 93371-30-3
Product Number: AG0032GY(AGN-PC-0W2XU8)
Synonyms:
MDL No: MFCD23381107
Molecular Formula: C9H16ClNO3
Molecular Weight: 221.6812

Identification/Properties

Properties
Form:
Solid
Computed Properties
Molecular Weight:
221.681g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
221.082g/mol
Monoisotopic Mass:
221.082g/mol
Topological Polar Surface Area:
55.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
223
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:
Danger
UN#:
1759
Hazard Statements:
H302-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:
Ⅲ

NMR Spectrum

Other Analytical Data

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Chemical Structure


(S)-3-(Boc-amino)-1-chloro-2-butanone is a versatile compound that plays a crucial role in chemical synthesis. This compound is commonly used as a key building block in the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure allows for precise manipulation of stereochemistry and functional group transformations, making it an essential intermediate in organic synthesis.In the field of medicinal chemistry, (S)-3-(Boc-amino)-1-chloro-2-butanone is frequently employed in the synthesis of peptide-based drugs. By incorporating this compound into peptide synthesis, chemists can introduce specific amino acid residues with controlled stereochemistry, enabling the creation of bioactive molecules with enhanced therapeutic properties. Furthermore, the presence of the Boc protecting group allows for selective deprotection under mild conditions, facilitating the modification of peptide sequences with high efficiency and yield.Additionally, (S)-3-(Boc-amino)-1-chloro-2-butanone serves as a valuable reagent in the construction of chiral building blocks for organic synthesis. Its ability to undergo various chemical transformations, such as nucleophilic substitution and reductive amination, makes it a versatile starting material for the generation of diverse molecular scaffolds. This compound's compatibility with a wide range of reaction conditions and its capacity to control the stereochemical outcome make it a valuable asset in the creation of complex organic molecules with defined three-dimensional structures.Overall, the application of (S)-3-(Boc-amino)-1-chloro-2-butanone in chemical synthesis underscores its significance as a strategic intermediate for the construction of structurally diverse and functionally relevant compounds. Its versatility, reactivity, and stereochemical control make it a valuable tool for synthetic chemists striving to access novel molecules with tailored properties and applications in various fields of science and industry.