Lot numbers can be found on the outside label of a product:
Methyl 6-bromo-1H-indazole-4-carboxylate
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CAS No. 885518-49-0
- Cat. No. CS-B0755
- Purity≥97%
- MDL No.MFCD07781319
*For research and further manufacturing use only, not for direct human use.
Structure of 885518-49-0
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General Information
- CAS No. 885518-49-0
- Cat. No. CS-B0755
- Purity ≥97%
- MDL No. MFCD07781319
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₇BrN₂O₂
- Molecular Weight 255.07
- Synonym(s) 1H-Indazole-4-carboxylicacid, 6-bromo-, methyl ester
- SMILES O=C(C1=CC(Br)=CC2=C1C=NN2)OC
Description
Methyl 6-bromo-1H-indazole-4-carboxylate features a brominated indazole core with a methyl ester at the C4 position, enabling direct functionalization in cross-coupling and derivatization workflows. The electron-deficient heterocycle pairs well with palladium catalysts, while the bench-stable ester group facilitates handling and purification under standard conditions.
Application
Methyl 6-bromo-1H-indazole-4-carboxylate serves as a versatile building block for the synthesis of indazole-based pharmaceuticals and agrochemicals. The bromo group enables palladium-catalyzed cross-coupling reactions, while the ester functionality supports subsequent transformations including hydrolysis, reduction, and amidation. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthetic sequences in medicinal chemistry and process development workflows.
Synthesis
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Route1
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In-stock
1346597-55-4 - ~70%
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In-stock
885518-49-0
References
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EPIZYME, INC.; KUNTZ, Kevin, Wayne; OLHAVA, Edward, James; CHESWORTH, Richard; DUNCAN, Kenneth, William Patent: WO2012/118812 A2, 2012 ; Location in patent: Page/Page column 313 ; WO 2012/118812 A2
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Route2
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67-56-1 -
In-stock
885523-08-0 - ~%
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In-stock
885518-49-0
References
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WO2010/102958 A1, ; Page/Page column 120 ; WO 2010/102958 A1
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Route3
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In-stock
107650-20-4 - ~%
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In-stock
885518-49-0
References
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WO2012/118812 A2, ; WO 2012/118812 A2
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Safety Information
Download SDS|
GHS Pictogram :
N/A
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GHS No : N/A
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Signal Word : N/A
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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 : N/A
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Precautionary Statements : N/A
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Quality Control
Computational Chemistry Data
- TPSA 54.98
- LogP 2.112
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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