Lot numbers can be found on the outside label of a product:
Ethyl 4-bromopentanoate
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CAS No. 27126-42-7
- Cat. No. CS-0139323
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 27126-42-7
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General Information
- CAS No. 27126-42-7
- Cat. No. CS-0139323
- Purity ≥96%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₁₃BrO₂
- Molecular Weight 209.08
- Synonym(s) Pentanoic acid,4-bromo-, ethyl ester
- SMILES CC(Br)CCC(OCC)=O
Description
Ethyl 4-bromopentanoate features a bromine atom at the gamma position relative to the ester group, enabling direct functionalization in synthetic transformations. This electrophilic site facilitates nucleophilic substitution reactions under mild conditions, making it valuable for constructing complex organic architectures. The molecule exhibits excellent stability and solubility in common organic solvents, supporting its use in multi-step synthesis workflows.
Application
Ethyl 4-bromopentanoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to γ-branched aliphatic systems. The bromide functionality facilitates nucleophilic substitution and transition-metal-catalyzed coupling reactions, while the ester group offers compatibility with reduction, hydrolysis, and further functionalization. Its bench-stable nature and straightforward purification support reliable use in multistep syntheses and heterocycle construction.
Synthesis
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Route1
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187737-37-7 -
105-36-2
- ~%
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In-stock
27126-42-7
References
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Kharasch; Skell; Fisher Journal of the American Chemical Society, 1948 , vol. 70, p. 1058
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Route2
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6149-46-8 - ~%
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In-stock
27126-42-7
References
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Lease; McElvain Journal of the American Chemical Society, 1933 , vol. 55, p. 807
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Route3
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64-17-5
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In-stock
108-29-2 - ~%
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In-stock
27126-42-7
References
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Takeda,K.; Minato,H. Chemical and Pharmaceutical Bulletin, 1961 , vol. 9, p. 619 - 625 Full Text Show Details Noyes, Cox Journal of the American Chemical Society, 1903 , vol. 25, p. 1094
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.1131
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 4
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