Lot numbers can be found on the outside label of a product:
Methyl 5-bromoquinoline-8-carboxylate
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CAS No. 1445781-45-2
- Cat. No. CS-W006719
- Purity≥97%
- MDL No.MFCD19703294
*For research and further manufacturing use only, not for direct human use.
Structure of 1445781-45-2
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General Information
- CAS No. 1445781-45-2
- Cat. No. CS-W006719
- Purity ≥97%
- MDL No. MFCD19703294
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₁H₈BrNO₂
- Molecular Weight 266.09
- Synonym(s) Methyl 5-bromo-8-quinolinecarboxylate
- SMILES O=C(C1=C2N=CC=CC2=C(Br)C=C1)OC
Description
Methyl 5-bromoquinoline-8-carboxylate features a bromine substituent at the 5-position of a quinoline scaffold, enabling facile functionalization in cross-coupling reactions. The ester group provides synthetic handle versatility, while the electron-deficient quinoline core supports efficient metal-catalyzed transformations under standard conditions. This compound serves as a key intermediate in medicinal chemistry and materials science applications.
Application
Methyl 5-bromoquinoline-8-carboxylate serves as a versatile building block for the synthesis of quinoline-based pharmaceuticals and agrochemicals. The bromine at the 5-position enables palladium-catalyzed cross-coupling reactions, while the ester group facilitates selective transformations. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative functionalization in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
928839-62-7 -
74-88-4 - ~%
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In-stock
1445781-45-2
References
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MERCK PATENT GMBH; HUCK, Bayard R.; CHEN, Xiaoling; XIAO, Yufang; LAN, Ruoxi; DE SELM, Lizbeth Celeste; NEAGU, Constantin; POTNICK, Justin; KARRA, Srinivasa, R.; JOHNSON, Theresa, L. Patent: WO2013/96194 A1, 2013 ; Location in patent: Page/Page column 33 ;
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Route2
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611-32-5
- ~%
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In-stock
1445781-45-2
References
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MERCK PATENT GMBH; HUCK, Bayard R.; CHEN, Xiaoling; XIAO, Yufang; LAN, Ruoxi; DE SELM, Lizbeth Celeste; NEAGU, Constantin; POTNICK, Justin; KARRA, Srinivasa, R.; JOHNSON, Theresa, L. Patent: WO2013/96194 A1, 2013 ;
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Route3
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In-stock
74316-55-5 - ~%
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In-stock
1445781-45-2
References
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MERCK PATENT GMBH; HUCK, Bayard R.; CHEN, Xiaoling; XIAO, Yufang; LAN, Ruoxi; DE SELM, Lizbeth Celeste; NEAGU, Constantin; POTNICK, Justin; KARRA, Srinivasa, R.; JOHNSON, Theresa, L. Patent: WO2013/96194 A1, 2013 ;
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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 39.19
- LogP 2.7839
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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