(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole) TCI P1947

Chemical Identity

CAS No.: 160191-64-0
PubChem: CID 10960121·SID 125307926
Formula: C25H30N2O2
Molecular weight: 390.5 g/mol
Purity: >98.0%(T)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
SMILES: CCC(CC)(C1=N[C@H](CO1)CC2=CC=CC=C2)C3=N[C@H](CO3)CC4=CC=CC=C4
InChIKey: ZIDQHNROIGAKIB-VXKWHMMOSA-N

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(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole), supplied by TCI under product code P1947, is a chiral ligand from the bis(oxazoline) family, often called BOX ligands. Its structure joins two chiral oxazoline rings through a carbon bridge that carries two ethyl groups, and each ring has a benzyl substituent at the 4-position. In the laboratory, this ligand is used to form complexes with metal ions such as copper, magnesium, zinc, or iron. The resulting complexes act as chiral Lewis acid catalysts that steer reactions toward one enantiomer.

Researchers choose this ligand because its C2 symmetry reduces the number of competing transition states, which makes the stereochemical outcome of a reaction easier to predict. The benzyl groups create considerable steric hindrance around the metal centre, which helps control how substrates approach it. The diethyl bridge limits conformational flexibility and affects the ligand's bite angle. Because the (4S,4'S) configuration is clearly defined, researchers can choose which product enantiomer they want. Its structure is also easy to compare with other BOX variants that carry isopropyl, tert-butyl, or phenyl substituents, so it is well suited to ligand optimisation studies.

In Indonesia, ligands like this are widely used by organic and synthetic chemistry research groups at universities and research institutions, especially those working on asymmetric catalysis and the synthesis of enantiomerically enriched compounds. Graduate students and researchers use them to develop new catalytic methods, screen chiral ligands for target reactions, and prepare chiral intermediates for pharmaceutical and natural product research. A defined commercial source such as TCI also helps keep results consistent across experiments.

TCI brochures (PDF)

Chiral Ligands 2024-12-13 · p. 3
Ligands 2025-12-01 · p. 3

Related TCI products

Copper-catalysed asymmetric reactions: the ligand forms chiral copper complexes that act as Lewis acid catalysts, and its C2 symmetry helps steer these reactions toward one enantiomer.
Magnesium- and zinc-mediated enantioselective transformations: the bis(oxazoline) framework binds these metal ions well, and the benzyl groups give the steric environment needed for good stereocontrol.
Iron-based chiral Lewis acid catalysis: the ligand can be complexed with iron for researchers exploring cheaper and more abundant metal centres while keeping a well-defined chiral environment.
Ligand optimisation and screening studies: it can be compared directly with BOX variants bearing isopropyl, tert-butyl, or phenyl groups, which helps researchers see how steric and structural changes affect selectivity.
Mechanistic and stereochemical studies: the defined (4S,4'S) configuration and fewer competing transition states make it useful for explaining and predicting stereochemical outcomes in asymmetric catalysis research.

Brand	TCI (product code P1947)
CAS number	160191-64-0
Molecular formula	—
Purity	—
Category	Chemistry > Asymmetric Synthesis > Chiral Catalysts, Chiral Ligands, Chiral Reagents
Pack sizes	check the current product listing for available pack sizes
Physical form	not stated; see the manufacturer's documentation
Storage	follow the conditions on the TCI label and Safety Data Sheet

Store this ligand in its original, tightly closed container in a cool, dry, well-ventilated place, away from direct sunlight, heat sources, and incompatible substances. Follow the specific storage conditions on the TCI product label and Safety Data Sheet. Because chiral ligands are often used in moisture- or air-sensitive catalytic systems, many laboratories handle them under an inert atmosphere and reseal containers promptly after use. Wear standard personal protective equipment, including gloves, safety glasses, and a lab coat, and work in a fume hood where possible. Avoid inhalation, ingestion, and skin or eye contact. Label all secondary containers clearly and dispose of waste according to local regulations and institutional procedures.

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