200556-36-1

Basic information

• Product Name: 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone
• Synonyms: 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone
• CAS NO: 200556-36-1
• Molecular Weight: 236.331
• Mol File: 200556-36-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone(200556-36-1)
• EPA Substance Registry System: 2-(13CD₃)-1-(3,5-di-tert-butylphenyl)ethanone(200556-36-1)

Safety Data

• Hazardous Substances Data: 200556-36-1(Hazardous Substances Data)

Upstream product

• 20710-47-8 [13C₂H₃] methyl iodide 

Downstream Products

• 200556-38-3 (2E)-4-(13CD₃)-3-(3,5-di-tert-butylphenyl)but-2-enenitrile 
• 200556-41-8 C₂₄⁽¹³⁾CH₃₃⁽²⁾H₃O₂ 
• 200556-39-4 (2E)-4-(13CD₃)-3-(3,5-di-tert-butylphenyl)but-2-enal 

Relevant articles and documents

Synthesis and characterization of a highly potent and selective isotopically labeled retinoic acid receptor ligand, ALRT1550

The syntheses of two labeled homologues of (2E,4E,6E)-7-(3,5-di-tert- butylphenyl)-3-methylocta-2,4,6-trienoic acid (ALRT1550, 2), [13CD3]ALRT1550 (3) and [3H]ALRT1550 (4), are described in this report. ALRT1550 is an exceptionally potent antiproliferative agent which is currently in phase I/II clinical trials for acute chemotherapy. Both homologues were prepared from commercially available 3,5-di-tert-butylbenzoic acid. Homologue [13CD3]ALRT1550 was labeled at the 7-position of the trienoic acid chain via addition of [13CD3]MgI to a Weinreb amide precursor. The preparation of [3H]ALRT1550 utilized novel methodology to synthesize a sterically hindered and site-specific tritium-labeled tert- butyl group. Saturation binding and Scatchard analysis of this ligand at the retinoic acid receptors are also described, along with competition binding (K(i)) values for a series of known retinoids using [3H]ALRT1550 or [3H]ATRA as the labeled probes.