Lot numbers can be found on the outside label of a product:
Methyl 1H-indazole-5-carboxylate
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CAS No. 473416-12-5
- Cat. No. CS-D0826
- Purity≥98%
- MDL No.MFCD07371609
*For research and further manufacturing use only, not for direct human use.
Structure of 473416-12-5
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General Information
- CAS No. 473416-12-5
- Cat. No. CS-D0826
- Purity ≥98%
- MDL No. MFCD07371609
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈N₂O₂
- Molecular Weight None
- Synonym(s) 5-(1H)Indazolecarboxylicacidmethylester
- SMILES O=C(C1=CC2=C(NN=C2)C=C1)OC
Description
Methyl 1H-indazole-5-carboxylate is a bench-stable heterocyclic ester featuring a fused indazole core with a strategically positioned ester group. This compound serves as a key intermediate in the synthesis of bioactive molecules, particularly in medicinal chemistry and agrochemical development. The electron-deficient indazole ring facilitates nucleophilic substitution and coupling reactions under mild conditions. Its solubility profile supports efficient handling in both polar and non-polar reaction media.
Application
Methyl 1H-indazole-5-carboxylate serves as a versatile building block for the synthesis of indazole-based pharmaceuticals and agrochemicals. Its carboxylate functionality enables direct amidation, reduction, or coupling reactions, while the indazole core provides structural rigidity and hydrogen-bonding capacity. The methyl ester is bench-stable and readily purified by standard chromatographic methods, facilitating integration into multi-step synthetic sequences.
Synthesis
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Route1
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In-stock
18595-14-7 - ~61%
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In-stock
473416-12-5
References
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US2012/277224 A1, ; Page/Page column 34 ; US 20120277224 A1
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Route2
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In-stock
61700-61-6 - ~%
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In-stock
473416-12-5
References
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EP1380576 A1, ; Page 58 ;
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Route3
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67-56-1 -
In-stock
61700-61-6
- ~89%
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In-stock
473416-12-5
References
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WO2013/78237 A1, ; Page/Page column 81; 82 ;
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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 : H315-H319-H335
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Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 54.98
- LogP 1.3495
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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