Lot numbers can be found on the outside label of a product:
Ethyl 2-(3-bromophenyl)acetate
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CAS No. 14062-30-7
- Cat. No. CS-W006014
- Purity≥96%
- MDL No.MFCD09953130
*For research and further manufacturing use only, not for direct human use.
Structure of 14062-30-7
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General Information
- CAS No. 14062-30-7
- Cat. No. CS-W006014
- Purity ≥96%
- MDL No. MFCD09953130
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₁BrO₂
- Molecular Weight 243.10
- Synonym(s) Ethyl (3-bromophenyl)acetate
- SMILES CCOC(CC1=CC(Br)=CC=C1)=O
Description
Ethyl 2-(3-bromophenyl)acetate features a brominated phenyl ring flanked by an ethyl ester and a methylene bridge, enabling direct functionalization at the ortho position. This configuration supports efficient coupling reactions in cross-coupling protocols and facilitates the synthesis of complex aromatic scaffolds under mild conditions.
Application
Ethyl 2-(3-bromophenyl)acetate serves as a versatile building block for C–C coupling reactions, enabling efficient access to biaryl and heteroaryl scaffolds. Its brominated aryl group facilitates palladium-catalyzed cross-coupling with boronic acids, stannanes, and other nucleophiles under standard conditions. The ester functionality supports further transformations, including reduction to the alcohol or hydrolysis to the carboxylic acid, offering orthogonal reactivity in multi-step syntheses. Bench-stable and readily purified by column chromatography, it is well-suited for industrial R&D workflows requiring reliable functional group handling.
Synthesis
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Route1
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In-stock
1878-67-7 - ~92%
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In-stock
14062-30-7
References
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MERCK SHARP and DOHME CORP.; DANG, Qun; ZHOU, Changyou; ZOU, Wuxin; HUA, Yuxia Patent: WO2013/43624 A1, 2013 ; Location in patent: Page/Page column 99 ;
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Route2
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64-17-5 -
In-stock
1878-67-7
- ~97%
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In-stock
14062-30-7
References
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BAYER INTELLECTUAL PROPERTY GMBH; SÜßMEIER, Frank; LOBELL, Mario; GRÜNEWALD, Sylvia; HÄRTER, Michael; BUCHMANN, Bernd; TELSER, Joachim; JÖRIßEN, Hannah; HEROULT, Melanie; KAHNERT, Antje; LUSTIG, Klemens; LINDNER, Niels Patent: US2013/190290 A1, 2013 ; Location in patent: Paragraph 1328; 1329; 1330 ;
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Route3
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In-stock
1878-67-7
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75-03-6
- ~%
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In-stock
14062-30-7
References
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US6344485 B1, ;
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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 2.5547
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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