2-Bromo-1,3-diethylbenzene

Name: 2-Bromo-1,3-diethylbenzene
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CAS No. 65232-57-7
Cat. No. CS-0152559
Molecule weight213.11
Purity≥95%
MDL No.MFCD00017770

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General Information

CAS No. 65232-57-7
Cat. No. CS-0152559
Purity ≥95%
MDL No. MFCD00017770
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃Br
Molecular Weight 213.11
Synonym(s) 2,6-Diethylbromobenzene
SMILES CCC1=C(C(=CC=C1)CC)Br

Description

2-Bromo-1,3-diethylbenzene features a bromine substituent at the 2-position of a 1,3-diethylbenzene scaffold, offering a sterically accessible site for palladium-catalyzed cross-coupling reactions. The ethyl groups enhance solubility in organic media while maintaining bench-stable handling properties under standard conditions.

Application

2-Bromo-1,3-diethylbenzene serves as a versatile ortho-brominated aromatic building block for transition-metal-catalyzed cross-coupling reactions. Its bromine substituent enables reliable Suzuki, Stille, and Negishi couplings under standard conditions, while the diethyl groups provide steric and electronic modulation. The compound exhibits excellent bench stability and is readily purified by distillation or recrystallization, facilitating its use in the synthesis of complex arenes and functionalized heterocycles relevant to pharmaceutical and agrochemical research.

Synthesis

Route1
- In-stock
  
  579-66-8
- ~%
- In-stock
  
  65232-57-7
References
- Justus Liebigs Annalen der Chemie, , vol. 646, p. 18 - 23

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 0
LogP 3.5739
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-diethylbenzene

CAS No. 65232-57-7

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