Lot numbers can be found on the outside label of a product:
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate
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CAS No. 147489-06-3
- Cat. No. CS-0162282
- Purity≥98%
- MDL No.MFCD12911897
*For research and further manufacturing use only, not for direct human use.
![t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate|CS-0162282](https://file.chemscene.com/productPIC/CS-0162282.gif)
Structure of 147489-06-3
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General Information
- CAS No. 147489-06-3
- Cat. No. CS-0162282
- Purity ≥98%
- MDL No. MFCD12911897
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₃₂H₃₆FNO₄
- Molecular Weight 517.63
- Synonym(s) 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
- SMILES O=C(OC(C)(C)C)C[C@H](OC(C)(O1)C)C[C@H]1/C=C/C2=C(C3=CC=C(F)C=C3)C4=CC=CC=C4N=C2C5CC5
Description
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate features a sterically hindered t-butyl ester and a chiral quinoline core with defined stereochemistry. This configuration enables precise spatial control in synthetic transformations, particularly in the construction of complex heterocyclic scaffolds. The molecule integrates a cyclopropyl group and fluorinated phenyl moiety, enhancing lipophilicity and metabolic stability. Its bench-stable nature supports reliable handling under standard conditions.
Application
t-Butyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-isopropylidenedioxy-6-heptenoate serves as a versatile synthetic intermediate for constructing complex quinoline-based scaffolds. Its stabilized enol ether functionality enables selective transformations under mild conditions, while the t-butyl ester facilitates easy deprotection. The molecule exhibits excellent bench stability and functional group tolerance, making it well-suited for iterative synthesis in medicinal chemistry campaigns targeting kinase inhibitors and other bioactive heterocycles.
Synthesis
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Route1
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1234331-54-4 -
124752-23-4 - ~84%
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In-stock
147489-06-3
References
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WO2010/77062 A2, ; Page/Page column 13-14 ;
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Route2
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153968-97-9
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153968-91-3
- ~78%
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In-stock
147489-06-3
References
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Bulletin of the Chemical Society of Japan, , vol. 68, # 9 p. 2649 - 2656
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Route3
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5292-43-3
- ~%
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In-stock
147489-06-3
References
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Bulletin of the Chemical Society of Japan, , vol. 68, # 9 p. 2649 - 2656
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 57.65
- LogP 7.5735
- H_Acceptors 5
- H_Donors 0
- Rotatable_Bonds 6
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Key Words
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