Lot numbers can be found on the outside label of a product:
1-(2-Chloro-6-hydroxyphenyl)ethanone
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CAS No. 55736-04-4
- Cat. No. CS-W019885
- Purity≥97%
- MDL No.MFCD00218550
*For research and further manufacturing use only, not for direct human use.
Structure of 55736-04-4
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General Information
- CAS No. 55736-04-4
- Cat. No. CS-W019885
- Purity ≥97%
- MDL No. MFCD00218550
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇ClO₂
- Molecular Weight 170.59
- Synonym(s) oro-6-hydroxyphenyL
- SMILES CC(C1=C(O)C=CC=C1Cl)=O
Description
1-(2-Chloro-6-hydroxyphenyl)ethanone features a chlorinated phenolic scaffold with a pendant ketone group, enabling direct incorporation into bioactive molecule scaffolds. The hydroxyl and electron-withdrawing chlorine substituents enhance reactivity in electrophilic coupling reactions. This bench-stable compound serves as a key intermediate for pharmaceuticals and functional materials.
Application
1-(2-Chloro-6-hydroxyphenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the phenolic hydroxyl group and electrophilic substitution at the aromatic ring. Its ketone functionality facilitates enolization and nucleophilic addition reactions, while the ortho-chloro substituent supports directed metalation and cross-coupling processes. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for multi-step synthesis of bioactive heterocycles and pharmaceutical intermediates.
Synthesis
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Route1
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1241953-55-8 - ~%
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In-stock
55736-04-4
References
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WO2010/94120 A1, ; Page/Page column 58-59 ; WO 2010/094120 A1
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Route2
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In-stock
89999-90-6 -
75-16-1 - ~15%
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In-stock
55736-04-4
References
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SCHERING CORPORATION; SHIPPS, JR., Gerald, W.; CHENG, Cliff, C.; HUANG, Xiaohua; ACHAB, Abdelghani, Abe; ORTH, Peter; VOIGT, Johannes, H.; SOUCY, Kyle, Ann Patent: WO2010/56631 A1, 2010 ; Location in patent: Page/Page column 132-134 ; WO 2010/056631 A1
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Route3
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211449-30-8
- ~63%
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In-stock
55736-04-4
References
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Uto, Yoshikazu; Ueno, Yuko; Kiyotsuka, Yohei; Miyazawa, Yuriko; Kurata, Hitoshi; Ogata, Tsuneaki; Yamada, Makiko; Deguchi, Tsuneo; Konishi, Masahiro; Takagi, Toshiyuki; Wakimoto, Satoko; Ohsumi, Jun European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 4788 - 4796
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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-H315-H319-H335
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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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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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