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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)-

Benzonitrile, 4-[(1S)-1-hydroxyethyl]-

N#Cc1ccc(cc1)[C@@H](O)C Request for Quotation
Chemical Name: Benzonitrile, 4-[(1S)-1-hydroxyethyl]-
CAS Number: 101219-71-0
Product Number: AG0003ZR(AGN-PC-0NV5VF)
Synonyms:
MDL No:
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties

Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
147.068g/mol
Monoisotopic Mass:
147.068g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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


(S)-4-(1-Hydroxyethyl)benzonitrile is a valuable intermediate in chemical synthesis, particularly in the field of pharmaceuticals and fine chemicals. Its unique structure and reactivity make it a versatile building block for the preparation of various compounds.One of the key applications of (S)-4-(1-Hydroxyethyl)benzonitrile is as a chiral synthon in asymmetric synthesis. Asymmetric synthesis is a crucial technique in modern organic chemistry to access chiral compounds, which are essential in drug development and other industries. (S)-4-(1-Hydroxyethyl)benzonitrile can serve as a chiral precursor for the introduction of a hydroxyethyl group in the desired stereochemistry, thus enabling the synthesis of enantiomerically pure compounds.Furthermore, (S)-4-(1-Hydroxyethyl)benzonitrile can participate in various reactions such as nucleophilic substitutions, cyclizations, and condensations to give access to structurally diverse molecules. Its nitrile group offers versatility in further functionalization, allowing chemists to tailor the molecule according to the desired properties.Overall, the application of (S)-4-(1-Hydroxyethyl)benzonitrile in chemical synthesis highlights its importance as a valuable intermediate for the construction of complex molecules with specific stereochemical and functional group requirements.