Lot numbers can be found on the outside label of a product:
1-(2-Chloro-5-hydroxyphenyl)ethan-1-one
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CAS No. 58020-38-5
- Cat. No. CS-0135018
- Purity≥97%
- MDL No.MFCD18393141
*For research and further manufacturing use only, not for direct human use.
Structure of 58020-38-5
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General Information
- CAS No. 58020-38-5
- Cat. No. CS-0135018
- Purity ≥97%
- MDL No. MFCD18393141
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇ClO₂
- Molecular Weight 170.59
- Synonym(s) 9-Isoxazolemethanamine
- SMILES CC(C1=CC(O)=CC=C1Cl)=O
Description
1-(2-Chloro-5-hydroxyphenyl)ethan-1-one features a chlorinated hydroxyaryl moiety linked to a ketone group, enabling direct functionalization in pharmaceutical intermediates. The ortho-chloro and para-hydroxy substituents create a polar, electron-deficient aromatic system ideal for coupling reactions. This compound exhibits bench-stable handling under standard conditions and integrates readily into complex molecular architectures requiring regioselective modifications.
Application
1-(2-Chloro-5-hydroxyphenyl)ethan-1-one serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl group and facilitating electrophilic substitution at the aromatic ring. Its ketone functionality supports nucleophilic additions and condensation reactions, while the chloro and hydroxy substituents offer orthogonal handles for further derivatization. The compound exhibits good bench stability and is amenable to purification via recrystallization or chromatography, making it suitable for use in multi-step synthesis of bioactive heterocycles and API intermediates.
Synthesis
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Route1
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In-stock
77344-69-5 - ~%
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In-stock
58020-38-5
References
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DAINIPPON SUMITOMO PHARMA CO., LTD. Patent: US2012/225876 A1, 2012 ; Location in patent: Page/Page column 53 ;
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References
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Bovonsombat, Pakorn; Ali, Rameez; Khan, Chiraphorn; Leykajarakul, Juthamard; Pla-On, Kawin; Aphimanchindakul, Suraj; Pungcharoenpong, Natchapon; Timsuea, Nisit; Arunrat, Anchalee; Punpongjareorn, Napat Tetrahedron, 2010 , vol. 66, # 34 p. 6928 - 6935
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Route3
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In-stock
6280-89-3 - ~%
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In-stock
58020-38-5
References
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DAINIPPON SUMITOMO PHARMA CO., LTD. Patent: US2012/225876 A1, 2012 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H312-H332
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 2.2482
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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