5-Chloro-1-(4-fluorophenyl)pentan-1-one

Name: 5-Chloro-1-(4-fluorophenyl)pentan-1-one
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CAS No. 17135-46-5
Cat. No. CS-0360757
Purity≥95%
MDL No.None

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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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5-Chloro-1-(4-fluorophenyl)pentan-1-one|CS-0360757

Structure of 17135-46-5

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General Information

CAS No. 17135-46-5
Cat. No. CS-0360757
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₂ClFO
Molecular Weight 214.66
Synonym(s) 5-Chloro-1-(4-fluorophenyl)-1-oxopentane
SMILES C(CCCl)CC(=O)C1=CC=C(C=C1)F

Description

5-Chloro-1-(4-fluorophenyl)pentan-1-one features a fluorinated aromatic ring paired with a chlorinated aliphatic chain, enabling selective reactivity in conjugate addition and coupling reactions. This bench-stable ketone integrates readily into complex molecular architectures under standard conditions.

Application

5-Chloro-1-(4-fluorophenyl)pentan-1-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its α-halo ketone functionality facilitates nucleophilic substitution and enolate-mediated transformations under mild conditions. The molecule exhibits bench stability, good solubility in common organic solvents, and compatibility with diverse functional groups, making it well-suited for multi-step synthetic sequences in API development.

Synthesis

Route1
- 462-06-6
- 1575-61-7
- ~%
- In-stock
  
  17135-46-5
References
- J. Gen. Chem. USSR (Engl. Transl.), , vol. 37, p. 1233 - 1236,1169 - 1172

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 17.07
LogP 3.4175
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Chloro-1-(4-fluorophenyl)pentan-1-one

CAS No. 17135-46-5

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