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1438415-89-4

1438415-89-4 Structure

1438415-89-4 Structure
IdentificationBack Directory
[Name]

TCO-PNB Ester
[CAS]

1438415-89-4
[Synonyms]

TCO-PNB Ester
TCO-PNB ester >=95%
TCO*E - active ester (p-NPC) / equatorial
(E)-cyclooct-4-en active ester / TCO/A- active ester (p-NPC) / axial
(E)-cyclooct-4-en active ester / TCO4 / A- active ester (p-NPE) / axial
[Molecular Formula]

C15H17NO5
[MDL Number]

MFCD31715315
[MOL File]

1438415-89-4.mol
[Molecular Weight]

291.3
Chemical PropertiesBack Directory
[Boiling point ]

433.9±45.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

powder or chunks
[color ]

Off-white to light yellow
[InChI]

1S/C15H17NO5/c17-15(20-13-6-4-2-1-3-5-7-13)21-14-10-8-12(9-11-14)16(18)19/h1-2,8-11,13H,3-7H2
[InChIKey]

FJMMADPCDJNXAH-UHFFFAOYSA-N
[SMILES]

O=C(OC1CCC/C=C/CC1)OC2=CC=C([N+]([O-])=O)C=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

TCO-PNB Ester contains two reactive substituents. The PNB ester is reactive with amine groups. TCO group can participate in Click Chemistry reactions with tetrazine and can be used to label antibodies and proteins.
[Uses]

TCO-PNB ester (trans-Cyclooctene-p-nitrobenzyl ester) has a p-nitrobenzyl (PNB) ester group that is amine reactive and a trans-cyclooctene (TCO) group that is reactive with tetrazines. TCO-PNB ester is supplied as a single axial (major) diastereomer. This specially formulated crystalline material provides easy handling and extended shelf life.
[reaction suitability]

reaction type: click chemistry
reagent type: cross-linking reagent
[IC 50]

Alkyl/ether
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