1-(3-Isopropoxyphenyl)ethanone

Name: 1-(3-Isopropoxyphenyl)ethanone
Brand: ChemScene
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CAS No. 114590-73-7
Cat. No. CS-0105779
Purity≥98%
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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1-(3-Isopropoxyphenyl)ethanone|CS-0105779

Structure of 114590-73-7

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General Information

CAS No. 114590-73-7
Cat. No. CS-0105779
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄O₂
Molecular Weight 178.23
Synonym(s) 1-(3-propan-2-yloxyphenyl)ethanone
SMILES CC(C1=CC=CC(OC(C)C)=C1)=O

Description

1-(3-Isopropoxyphenyl)ethanone features a para-substituted aromatic ring bearing an isopropoxy group and a ketone functionality, enabling its use in constructing complex pharmaceutical intermediates. The electron-rich phenyl moiety enhances reactivity in electrophilic substitution, while the bench-stable ketone facilitates straightforward derivatization under standard conditions.

Application

1-(3-Isopropoxyphenyl)ethanone serves as a versatile aryl ketone building block for medicinal chemistry and materials synthesis. Its isopropoxy group enhances solubility and modulates electronic properties, while the acetyl functionality enables facile transformations including nucleophilic additions, reductions, and coupling reactions. The compound exhibits good bench stability and is compatible with standard purification techniques, facilitating integration into multi-step synthetic sequences.

Synthesis

Route1
- In-stock
  
  121-71-1
- 75-26-3
- ~90%
- In-stock
  
  114590-73-7
References
- Lee, Ya-Ting; Fong, Tsorng-Harn; Chen, Hui-Min; Chang, Chao-Yuan; Wang, Yun-Hsin; Chern, Ching-Yuh; Chen, Yau-Hung Molecules, 2014 , vol. 19, # 1 p. 641 - 650
Route2
- 75-30-9
- In-stock
  
  121-71-1
- ~94%
- In-stock
  
  114590-73-7
References
- KOWA COMPANY, LTD. Patent: US2010/48610 A1, 2010 ; Location in patent: Page/Page column 79 ; US 20100048610 A1

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

TPSA 26.3
LogP 2.6764
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Isopropoxyphenyl)ethanone

CAS No. 114590-73-7

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