Lot numbers can be found on the outside label of a product:
Methyl 2-(4-(benzyloxy)phenyl)acetate
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CAS No. 68641-16-7
- Cat. No. CS-0150707
- Purity≥96%
- MDL No.MFCD00157061
*For research and further manufacturing use only, not for direct human use.
Structure of 68641-16-7
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General Information
- CAS No. 68641-16-7
- Cat. No. CS-0150707
- Purity ≥96%
- MDL No. MFCD00157061
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₆H₁₆O₃
- Molecular Weight 256.30
- Synonym(s) 4-BENZYLOXYPHENYLACETIC ACID METHYL ESTER
- SMILES COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2
Description
Methyl 2-(4-(benzyloxy)phenyl)acetate features a benzyloxy-substituted phenyl core paired with a β-ester functional group, enabling direct integration into Suzuki-Miyaura cross-coupling reactions. The benzyl ether moiety offers stability under standard conditions while the ester facilitates selective derivatization. This compound serves as a key intermediate in the synthesis of bioactive arylated compounds and advanced pharmaceutical building blocks.
Application
Methyl 2-(4-(benzyloxy)phenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of biaryl and heterocyclic scaffolds. The benzyloxy group provides orthogonal protection for phenolic functionalities, while the ester moiety supports subsequent transformations including hydrolysis, reduction, and coupling reactions. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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623-05-2 - ~%
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In-stock
68641-16-7
References
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Bioorganic and Medicinal Chemistry, , vol. 14, # 6 p. 2022 - 2031
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Route2
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In-stock
836-43-1 - ~%
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In-stock
68641-16-7
References
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Bioorganic and Medicinal Chemistry, , vol. 14, # 6 p. 2022 - 2031
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Route3
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In-stock
838-96-0 - ~%
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In-stock
68641-16-7
References
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Bioorganic and Medicinal Chemistry, , vol. 14, # 6 p. 2022 - 2031
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS09
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Signal Word : Warning
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UN#: 3077
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Class : 9
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Packing Group : Ⅲ
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Hazard Statements : H303-H400
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Precautionary Statements : P273-P391-P501
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Quality Control
Computational Chemistry Data
- TPSA 35.53
- LogP 2.9811
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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