t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate, CAS No. 147489-06-3

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147489-06-3

Catalog No. EBD21354

CAS 147489-06-3

Name t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate

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Basic Information

Synonyms: t-Butyl(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate tert-butyl[(4R,6S)-6-{(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoicacid,1,1-dimethylethylester (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-heptenoate P-1 (4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-aceticacidtert-butylester t-Butyl-(3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-2,2-Dimethyl-1,3-dioxane-6-hept

Molecular Formula: C32H36FNO4

Molecular Weight: 517.63

MDL Number: MFCD12911897

Categories: Medicinal Chemistry > Pharmaceutical Intermediates > Heterocyclic Intermediates Medicinal Chemistry > APIs and Their Salts > Anti-infectives

Product Description:

This compound, with CAS number 147489-06-3, is a complex organic molecule featuring a quinoline core substituted with a cyclopropyl group, a fluorophenyl ring, and a vinyl linker connected to a 2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester moiety. It is a key synthetic intermediate in the production of Bedaquiline (TMC207), a diarylquinoline antimycobacterial agent. Bedaquiline is a crucial API specifically developed for the treatment of multidrug-resistant tuberculosis (MDR-TB). It functions by inhibiting the proton pump of mycobacterial ATP synthase, a novel mechanism of action distinct from other TB drugs. The compound 147489-06-3 represents a critical advanced intermediate in the synthetic pathway to this important anti-infective drug. Its primary industrial and research significance lies exclusively in the pharmaceutical synthesis of Bedaquiline. Handling requires standard precautions for fine chemical intermediates, and it is not considered a general-purpose building block for broader synthetic chemistry applications.

Physical Properties

Boiling Point: 604.559 °C at 760 mmHg

Flash Point: 319.426 °C

Density: 1.184 g/cm3

Analytical Data

Appearance: white or almost white power