Lot numbers can be found on the outside label of a product:
Methyl 3-bromo-2-(bromomethyl)benzoate
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CAS No. 337536-14-8
- Cat. No. CS-0062622
- Purity≥98%
- MDL No.MFCD06804569
*For research and further manufacturing use only, not for direct human use.
Structure of 337536-14-8
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General Information
- CAS No. 337536-14-8
- Cat. No. CS-0062622
- Purity ≥98%
- MDL No. MFCD06804569
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈Br₂O₂
- Molecular Weight None
- Synonym(s) Methyl 3-bromo-2-bromomethylbenzoate
- SMILES O=C(OC)C1=CC=CC(Br)=C1CBr
Description
Methyl 3-bromo-2-(bromomethyl)benzoate features a dual bromide functionality enabling efficient cross-coupling and functional group interconversion. The benzoate ester provides solubility in organic media, while the bromomethyl group offers a reactive handle for nucleophilic substitution under mild conditions. This compound serves as a versatile synthon in synthetic medicinal chemistry and materials science.
Application
Methyl 3-bromo-2-(bromomethyl)benzoate serves as a versatile dihalogenated building block for transition-metal-catalyzed cross-coupling reactions. The ortho-bromo and bromomethyl groups enable sequential functionalization via Pd-catalyzed coupling, facilitating the construction of complex aryl architectures. Its bench-stable crystalline form simplifies handling and purification, while the ester functionality offers compatibility with standard synthetic workflows.
Synthesis
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Route1
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In-stock
99548-54-6 - ~99%
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In-stock
337536-14-8
References
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AMGEN INC. Patent: WO2007/5668 A2, 2007 ; Location in patent: Page/Page column 36 ; WO 2007/005668 A2
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Route2
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34241-39-9 -
In-stock
99548-54-6
- ~%
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In-stock
337536-14-8
References
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US6518257 B1, ;
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References
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US2007/203116 A1, ; Page/Page column 8; 10 ; US 20070203116 A1
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 3265
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 3.1306
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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