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  2. 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride

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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-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride

CCNCC#CCOC(=O)[C@](c1ccccc1)(C1CCCCC1)O.Cl Request for Quotation
Chemical Name: 4-(1,1,2,2,2-pentadeuterioethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
CAS Number: 181647-12-1
Product Number: AG0022ZV(AGN-PC-07CF7M)
Synonyms:
MDL No:
Molecular Formula: C20H28ClNO3
Molecular Weight: 365.8942

Identification/Properties

Computed Properties
Molecular Weight:
365.898g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
365.176g/mol
Monoisotopic Mass:
365.176g/mol
Topological Polar Surface Area:
58.6A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
452
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:
2
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(ethylamino)-2-butyn-1-yl ester, hydrochloride (1:1), (αR)- is a versatile compound commonly used in chemical synthesis processes. Its unique structure and properties make it a valuable reagent in various reactions and transformations.One significant application of this compound is in the synthesis of complex organic molecules, particularly in the pharmaceutical industry. Its specific ester and hydrochloride groups play crucial roles in the modification of functional groups and the formation of new carbon-carbon bonds. This compound can serve as a key building block in the creation of novel drug candidates or fine chemicals with important biological activities.Furthermore, Benzeneacetic acid, α-cyclohexyl-α-hydroxy-, 4-(ethylamino)-2-butyn-1-yl ester, hydrochloride (1:1), (αR)- exhibits excellent reactivity and selectivity in various catalytic processes, making it a valuable tool for chemists seeking to streamline their synthetic routes or access challenging chemical structures. Its stereochemistry and functional groups enable precise control over the regio- and stereochemistry of the products, leading to high yields and purity in the desired compounds.Overall, this compound plays a crucial role in modern chemical synthesis by offering chemists a powerful tool for the construction of complex molecules with specific stereochemical configurations and functional groups. Its diverse applications make it a valuable asset in the hands of synthetic chemists pushing the boundaries of chemical research and development.