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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)-

1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), (2R,4R)-rel-

Cc1ccc(cc1)S(=O)(=O)OC[C@H]1CO[C@](O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl Request for Quotation
Chemical Name: 1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), (2R,4R)-rel-
CAS Number: 134071-44-6
Product Number: AG00HT5F(AGN-PC-0PK61R)
Synonyms:
MDL No:
Molecular Formula: C21H20Cl2N2O5S
Molecular Weight: 483.3649

Identification/Properties

Computed Properties
Molecular Weight:
483.36g/mol
XLogP3:
4.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
7
Exact Mass:
482.047g/mol
Monoisotopic Mass:
482.047g/mol
Topological Polar Surface Area:
88A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
700
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound (cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate plays a crucial role in chemical synthesis due to its unique structural features and reactivity. It serves as a versatile building block in the creation of various organic molecules with specific functionalities. One key application of this compound is in the synthesis of novel pharmaceutical intermediates and bioactive compounds. By utilizing its imidazole and dioxolane functionalities, chemists can introduce specific molecular groups onto the scaffold, enabling the creation of diverse chemical libraries for drug discovery and development. Its ability to undergo selective transformations under controlled reaction conditions makes it a valuable tool for designing and accessing new molecules with tailored properties for a wide range of applications in medicinal and materials chemistry.