Lot numbers can be found on the outside label of a product:
3-Bromo-4-methylbenzaldehyde
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CAS No. 36276-24-1
- Cat. No. CS-W019169
- Purity≥95%
- MDL No.MFCD04971197
*For research and further manufacturing use only, not for direct human use.
Structure of 36276-24-1
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General Information
- CAS No. 36276-24-1
- Cat. No. CS-W019169
- Purity ≥95%
- MDL No. MFCD04971197
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇BrO
- Molecular Weight 199.05
- Synonym(s) 3-Bromo-p-tolualdehyde
- SMILES CC1=C(Br)C=C(C=O)C=C1
Description
3-Bromo-4-methylbenzaldehyde features a bromine substituent at the meta position relative to the aldehyde, paired with a methyl group at the para position. This electronic and steric configuration enhances reactivity in cross-coupling processes. The compound serves as a key intermediate in synthesizing pharmaceuticals and functional materials.
Application
3-Bromo-4-methylbenzaldehyde serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions due to its well-defined electrophilic bromide and aldehyde functionalities. The methyl group provides steric and electronic modulation, while the aldehyde offers direct access to imines, hydrazones, and other functionalized derivatives. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing complex aromatic scaffolds and API intermediates.
Synthesis
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Route1
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In-stock
68120-35-4 - ~75%
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In-stock
36276-24-1
References
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Jurutka, Peter W.; Kaneko, Ichiro; Yang, Joanna; Bhogal, Jaskaran S.; Swierski, Johnathon C.; Tabacaru, Christa R.; Montano, Luis A.; Huynh, Chanh C.; Jama, Rabia A.; Mahelona, Ryan D.; Sarnowski, Joseph T.; Marcus, Lisa M.; Quezada, Alexis; Lemming, Brittney; Tedesco, Maria A.; Fischer, Audra J.; Mohamed, Said A.; Ziller, Joseph W.; Ma, Ning; Gray, Geoffrey M.; Van Der Vaart, Arjan; Marshall, Pamela A.; Wagner, Carl E. Journal of Medicinal Chemistry, 2013 , vol. 56, # 21 p. 8432 - 8454
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Route2
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In-stock
104-87-0 - ~89%
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In-stock
36276-24-1
References
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Plieger, Paul G.; Burrell, Anthony K.; Jameson, Geoffrey B.; Officer, David L. Dalton Transactions, 2004 , # 2 p. 319 - 326
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Route3
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In-stock
7697-26-9 - ~%
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In-stock
36276-24-1
References
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WO2013/40227 A2, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07,GHS09
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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-H317-H319-H335-H401-H411
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Precautionary Statements : P261-P264-P270-P271-P272-P273-P280-P302+P352-P305+P351+P338-P362-P391-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 2.57002
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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