Lot numbers can be found on the outside label of a product:
Methyl 5-bromo-2,4-dimethylbenzoate
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CAS No. 152849-72-4
- Cat. No. CS-0153303
- Purity≥97%
- MDL No.MFCD11112985
*For research and further manufacturing use only, not for direct human use.
Structure of 152849-72-4
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General Information
- CAS No. 152849-72-4
- Cat. No. CS-0153303
- Purity ≥97%
- MDL No. MFCD11112985
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁BrO₂
- Molecular Weight 243.10
- Synonym(s) BENZOIC ACID, 5-BROMO-2,4-DIMETHYL-, METHYL ESTER
- SMILES CC1=CC(=C(C=C1C(=O)OC)Br)C
Description
Methyl 5-bromo-2,4-dimethylbenzoate features a brominated aromatic core with strategically positioned methyl groups enhancing electronic and steric control. This bench-stable ester serves as a key intermediate in the synthesis of functionalized biaryls and pharmaceutical scaffolds, offering predictable reactivity in palladium-catalyzed cross-coupling processes under standard conditions.
Application
Methyl 5-bromo-2,4-dimethylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromo substituent. The methyl ester functionality offers compatibility with standard hydrolysis and derivatization protocols. Its ortho-methyl groups provide steric control and enhance bench stability, facilitating purification and scalability in multi-step syntheses of complex aromatic systems.
Synthesis
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Route1
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In-stock
615-87-2 - ~%
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In-stock
152849-72-4
References
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Rajca, Andrzej; Janicki, Slawomir Journal of Organic Chemistry, 1994 , vol. 59, # 23 p. 7099 - 7107
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Route2
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67-56-1 -
In-stock
842136-27-0 - ~%
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In-stock
152849-72-4
References
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Rajca, Andrzej; Janicki, Slawomir Journal of Organic Chemistry, 1994 , vol. 59, # 23 p. 7099 - 7107
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Route3
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In-stock
842136-27-0
- ~%
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In-stock
152849-72-4
References
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Rinkes Recueil des Travaux Chimiques des Pays-Bas, 1939 , vol. 58, p. 218,224
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Safety Information
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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 26.3
- LogP 2.85254
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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