Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate
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CAS No. 864076-05-1
- Cat. No. CS-W006489
- Purity≥96%
- MDL No.MFCD13189816
*For research and further manufacturing use only, not for direct human use.
Structure of 864076-05-1
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General Information
- CAS No. 864076-05-1
- Cat. No. CS-W006489
- Purity ≥96%
- MDL No. MFCD13189816
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₇BrN₂O₂
- Molecular Weight 219.04
- Synonym(s) methyl 4-bromo-1-methyl-imidazole-2-carboxylate
- SMILES O=C(C1=NC(Br)=CN1C)OC
Description
Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate is a bench-stable, moisture-tolerant heterocyclic building block featuring a brominated imidazole core and ester functionality. This compound integrates readily into cross-coupling reactions and serves as a key intermediate in medicinal chemistry campaigns targeting bioactive nitrogen-containing scaffolds.
Application
Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo group and orthogonal reactivity. The methyl ester facilitates downstream transformations, while the imidazole core provides a rigid scaffold for medicinal chemistry applications. Bench-stable and readily purified by column chromatography, it functions efficiently in standard coupling protocols, including Suzuki-Miyaura and Stille reactions, supporting scalable synthesis of functionalized imidazoles.
Synthesis
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Route1
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67-56-1 -
In-stock
30148-23-3 - ~16%
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In-stock
864076-05-1
References
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AMGEN INC. Patent: WO2009/75874 A1, 2009 ; Location in patent: Page/Page column 132 ; WO 2009/075874 A1
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Route2
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1313196-09-6
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124-41-4
- ~69%
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In-stock
864076-05-1
References
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Billedeau, Roland Joseph; Kondru, Rama K.; Lopez-Tapia, Francisco Javier; Lou, Yan; Owens, Timothy D.; Qian, Yimin; So, Sung-Sau; Thakkar, Kshitij C.; Wanner, Jutta Patent: US2012/295885 A1, 2012 ; Location in patent: Page/Page column 32 ;
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Route3
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In-stock
30148-23-3
- ~%
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In-stock
864076-05-1
References
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Billedeau, Roland Joseph; Kondru, Rama K.; Lopez-Tapia, Francisco Javier; Lou, Yan; Owens, Timothy D.; Qian, Yimin; So, Sung-Sau; Thakkar, Kshitij C.; Wanner, Jutta Patent: US2012/295885 A1, 2012 ;
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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 44.12
- LogP 0.9692
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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