2-Bromo-1,3-diethyl-5-methylbenzene

Name: 2-Bromo-1,3-diethyl-5-methylbenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 314084-61-2
Cat. No. CS-W005228
Molecule weightNone
Purity≥96%
MDL No.MFCD16036168

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Bromo-1,3-diethyl-5-methylbenzene|CS-W005228

Structure of 314084-61-2

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General Information

CAS No. 314084-61-2
Cat. No. CS-W005228
Purity ≥96%
MDL No. MFCD16036168
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₅Br
Molecular Weight None
Synonym(s) benzene, 2-bromo-1,3-diethyl-5-methyl-
SMILES CCC1=CC(C)=CC(CC)=C1Br

Description

2-Bromo-1,3-diethyl-5-methylbenzene features a bromine atom at the 2-position of a substituted benzene ring, flanked by two ethyl groups and a methyl substituent. This configuration imparts enhanced steric bulk and electronic modulation, enabling efficient coupling reactions in synthetic pathways. The molecule exhibits bench-stable handling under standard conditions and serves as a robust building block for complex aromatic systems.

Application

2-Bromo-1,3-diethyl-5-methylbenzene serves as a versatile aryl bromide building block for palladium-catalyzed cross-coupling reactions. Its ortho-brominated structure enables efficient Suzuki, Stille, and Negishi couplings with high functional group tolerance. The ethyl and methyl substituents provide steric and electronic modulation, enhancing reaction selectivity and stability under standard synthetic conditions. This compound facilitates the construction of complex substituted arenes and heterocyclic scaffolds in medicinal chemistry and materials synthesis.

Synthesis

Route1
- In-stock
  
  24544-08-9
- ~%
- In-stock
  
  314084-61-2
References
- Bayer CropScience AG Patent: US2010/234652 A1, 2010 ; Location in patent: Page/Page column 4-5 ;

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07,GHS09
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H317-H410
Precautionary Statements : P273-P391-P501

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Computational Chemistry Data

TPSA 0
LogP 3.88232
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-1,3-diethyl-5-methylbenzene

CAS No. 314084-61-2

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