Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-2,6-dimethylbenzoate
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CAS No. 90841-46-6
- Cat. No. CS-0119801
- Purity≥98%
- MDL No.MFCD11227152
*For research and further manufacturing use only, not for direct human use.
Structure of 90841-46-6
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General Information
- CAS No. 90841-46-6
- Cat. No. CS-0119801
- Purity ≥98%
- MDL No. MFCD11227152
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁BrO₂
- Molecular Weight 243.10
- Synonym(s) None
- SMILES O=C(OC)C1=C(C)C=C(Br)C=C1C
Description
Methyl 4-bromo-2,6-dimethylbenzoate features a brominated aromatic core with two methyl groups positioned ortho to the ester functionality. This sterically shielded architecture enhances stability and directs regioselective coupling reactions. The electron-deficient ring facilitates palladium-catalyzed cross-coupling, while the methyl substituents reduce undesired side reactions. Ideal for constructing complex heterocycles and functionalized arenes under standard conditions.
Application
Methyl 4-bromo-2,6-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine functionality. The methyl ester group provides stability and facilitates downstream transformations, while the ortho-methyl substituents enhance regiochemical control and offer steric protection. This compound exhibits excellent bench stability and is compatible with standard reaction conditions, making it ideal for constructing complex aromatic scaffolds in medicinal chemistry and materials science applications.
Synthesis
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Route1
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67-56-1 -
851335-23-4
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201230-82-2
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In-stock
90841-46-6
References
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Kissei Pharmaceutical Co., Ltd. Patent: EP1679304 A1, 2006 ; Location in patent: Page/Page column 36-37 ; EP 1679304 A1
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Route2
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In-stock
74346-19-3 -
74-88-4
- ~%
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In-stock
90841-46-6
References
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ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2006/20879 A1, 2006 ; Location in patent: Page/Page column 59-60 ; WO 2006/020879 A1
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Route3
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In-stock
74346-19-3
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77-78-1
- ~%
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In-stock
90841-46-6
References
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Cachia; Wahl Bulletin de la Societe Chimique de France, 1958 , p. 310,313
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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 26.3
- LogP 2.85254
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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