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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)-

4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide

CC[N+](CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)(CC)[O-] Request for Quotation
Chemical Name: 4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide
CAS Number: 80976-68-7
Product Number: AG008LH1(AGN-PC-0JPQKO)
Synonyms:
MDL No:
Molecular Formula: C22H31NO4
Molecular Weight: 373.4858

Identification/Properties

Computed Properties
Molecular Weight:
373.493g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
373.225g/mol
Monoisotopic Mass:
373.225g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
533
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(diethylnitroryl)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate is a versatile compound widely utilized in chemical synthesis due to its unique molecular structure and reactivity. This compound serves as a valuable building block in the creation of various organic molecules, particularly in the field of medicinal chemistry and material science.One of the key applications of 4-(diethylnitroryl)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate is in the development of pharmaceuticals. Its specific functional groups and conjugated system make it an ideal candidate for modifying drug molecules to enhance their pharmacological properties, such as improving solubility, stability, and bioavailability. By incorporating this compound into drug design, researchers can tailor the physicochemical characteristics of pharmaceuticals for improved therapeutic outcomes.Furthermore, 4-(diethylnitroryl)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate can also be employed in the synthesis of advanced materials. Its structural features make it suitable for creating polymers, dendrimers, and functionalized surfaces with tailored properties, such as optical, electronic, or mechanical functionalities. This compound's versatility opens up opportunities for designing novel materials with specific characteristics for applications in sensors, catalysis, and nanotechnology.Overall, the chemical synthesis of 4-(diethylnitroryl)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate plays a crucial role in expanding the repertoire of molecular building blocks available to chemists, enabling the development of innovative compounds with diverse applications in pharmaceuticals and materials science.