1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one

Name: 1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 5731-01-1
Cat. No. CS-0033699
Molecule weight275.14
Purity≥98%
MDL No.MFCD00143242

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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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1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one|CS-0033699

Structure of 5731-01-1

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General Information

CAS No. 5731-01-1
Cat. No. CS-0033699
Purity ≥98%
MDL No. MFCD00143242
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₁BrO
Molecular Weight 275.14
Synonym(s) 4-Acetyl-4'-bromobiphenyl; 4'-Bromo-4-acetylbiphenyl; NSC 58059; Acetylbromodiphenyl
SMILES CC(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)=O

Description

1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one features a brominated biphenyl core linked to a ketone-bearing ethyl side chain. This structure integrates a reactive aryl halide with a synthetically accessible carbonyl group, enabling efficient cross-coupling and functionalization in transition-metal-catalyzed transformations. The molecule exhibits robust stability under standard handling conditions and serves as a key intermediate in the synthesis of advanced organic materials and pharmaceutical candidates.

Application

1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one serves as a versatile building block in cross-coupling chemistry, enabling efficient construction of biaryl architectures. The bromo and ketone functionalities offer orthogonal reactivity—compatible with Suzuki, Stille, and Negishi couplings—while the aryl ketone moiety provides a handle for further functionalization. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses targeting pharmaceutical intermediates and advanced materials.

Synthesis

Route1
- In-stock
  
  92-66-0
- 75-36-5
- ~84%
- In-stock
  
  5731-01-1
References
- Journal of Molecular Liquids, , vol. 175, p. 72 - 84
Route2
- In-stock
  
  92-66-0
- 108-24-7
- ~76%
- In-stock
  
  5731-01-1
References
- Journal of the American Chemical Society, , vol. 107, # 21 p. 6046 - 6052
Route3
- In-stock
  
  589-87-7
- In-stock
  
  171364-81-1
- ~75%
- In-stock
  
  5731-01-1
References
- Journal of Organic Chemistry, , vol. 68, # 9 p. 3729 - 3732

Safety Information

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GHS Pictogram :	GHS No : GHS07,GHS09
Signal Word : Warning	UN#: 3077
Class : 9	Packing Group : Ⅲ
Hazard Statements : H319-H411
Precautionary Statements : P264-P273-P280-P391-P501

Quality Control

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Computational Chemistry Data

TPSA 17.07
LogP 4.3187
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Material Science Material Composite Block Liquid Crystal (LC) Block

Material Science Material Building Blocks Liquid Crystal (LC) Building Blocks Biphenyls

Key Words

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1-(4'-Bromo-[1,1'-biphenyl]-4-yl)ethan-1-one

CAS No. 5731-01-1

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