1-Bromo-4-phenylbutan-2-one

Name: 1-Bromo-4-phenylbutan-2-one
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CAS No. 31984-10-8
Cat. No. CS-W019479
Molecule weight227.10
Purity≥95%
MDL No.MFCD11847199

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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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General Information

CAS No. 31984-10-8
Cat. No. CS-W019479
Purity ≥95%
MDL No. MFCD11847199
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁BrO
Molecular Weight 227.10
Synonym(s) 2-Thiopheneaceticacid,10-bromo-α-oxo-,ethylester
SMILES O=C(CCC1=CC=CC=C1)CBr

Description

1-Bromo-4-phenylbutan-2-one features a bromine atom at the terminal position of a butanone chain flanked by a phenyl group and a ketone. This electrophilic site enables efficient coupling in C–C bond formation, while the aryl substituent enhances stability and modulates reactivity. The molecule serves as a key intermediate in synthesizing functionalized alkylated aromatics and complex heterocycles under standard conditions.

Application

1-Bromo-4-phenylbutan-2-one serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of substituted cyclohexanes and heterocyclic systems via Michael addition and cyclization cascades. Its α-bromoketone functionality facilitates nucleophilic substitution and enolate formation under mild conditions, while the phenyl group enhances stability and provides a handle for further functionalization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 17.07
LogP 2.5832
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-4-phenylbutan-2-one

CAS No. 31984-10-8

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