Lot numbers can be found on the outside label of a product:
Ethyl 2-(2-chlorophenyl)acetate
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CAS No. 40061-54-9
- Cat. No. CS-0043127
- Purity≥96%
- MDL No.MFCD09264019
*For research and further manufacturing use only, not for direct human use.
Structure of 40061-54-9
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General Information
- CAS No. 40061-54-9
- Cat. No. CS-0043127
- Purity ≥96%
- MDL No. MFCD09264019
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁ClO₂
- Molecular Weight 198.65
- Synonym(s) Ethyl (2-chlorophenyl)acetate
- SMILES CCOC(=O)CC1=C(Cl)C=CC=C1
Description
Ethyl 2-(2-chlorophenyl)acetate is a bench-stable, moisture-tolerant ester featuring a chlorinated phenyl group that enhances electrophilic reactivity. This compound integrates readily into synthetic sequences requiring aromatic acylation or C–C bond formation under mild conditions.
Application
Ethyl 2-(2-chlorophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to biologically relevant scaffolds. Its ortho-chlorinated aryl group provides enhanced reactivity in electrophilic substitution and facilitates downstream functionalization via palladium-catalyzed cross-coupling. The ester functionality allows for controlled hydrolysis or reduction, supporting diverse transformations. Bench-stable and readily purified by distillation or chromatography, it functions reliably in multi-step syntheses of pharmaceutical intermediates and heterocyclic systems.
Synthesis
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Route1
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64-17-5 -
201230-82-2
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95-49-8
- ~82%
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In-stock
40061-54-9
References
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Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences; Huang, Hanmin; Xia, Chungu; Xie, Pan Patent: US2013/303798 A1, 2013 ; Location in patent: Paragraph 0066; 0067 ;
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Route2
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In-stock
2444-36-2 -
64-17-5
- ~96%
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In-stock
40061-54-9
References
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BRISTOL-MYERS SQUIBB COMPANY; BOY, Kenneth M.; GUERNON, Jason M.; MACOR, John E.; OLSON, Richard E.; SHI, Jianliang; THOMPSON, Lorin A., III.; WU, Yong-Jin; XU, Li; ZHANG, Yunhui; ZUEV, Dmitry S. Patent: WO2012/103297 A1, 2012 ; Location in patent: Page/Page column 195-196 ;
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Route3
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541-41-3
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611-19-8
- ~80%
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In-stock
40061-54-9
References
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Metzger, Albrecht; Schade, Matthias A.; Knochel, Paul Organic Letters, 2008 , vol. 10, # 6 p. 1107 - 1110
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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 26.3
- LogP 2.4456
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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