Lot numbers can be found on the outside label of a product:
Methyl 2,2-diphenylacetate
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CAS No. 3469-00-9
- Cat. No. CS-0020167
- Purity≥98%
- MDL No.MFCD00025869
*For research and further manufacturing use only, not for direct human use.
Structure of 3469-00-9
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General Information
- CAS No. 3469-00-9
- Cat. No. CS-0020167
- Purity ≥98%
- MDL No. MFCD00025869
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₄O₂
- Molecular Weight 226.27
- Synonym(s) Methyl 2,2-diphenylacetate; Methyl diphenylacetate; Diphenylacetic Acid Methyl Ester
- SMILES O=C(OC)C(C1=CC=CC=C1)C2=CC=CC=C2
Description
Methyl 2,2-diphenylacetate features a sterically hindered benzylic ester core flanked by two aryl groups, conferring enhanced stability under standard conditions. This bench-stable reagent integrates readily into synthetic sequences requiring robust ketone equivalents, enabling efficient access to diaryl-substituted carbonyl architectures through hydrolysis or reduction pathways.
Application
Methyl 2,2-diphenylacetate serves as a stable, bench-ready synthon for the synthesis of diaryl-substituted carboxylic acid derivatives. Its α,α-diphenyl substitution imparts enhanced stability and facilitates efficient functionalization at the benzylic position. The ester group enables straightforward hydrolysis to the corresponding acid or conversion into amides and other carbonyl derivatives. This compound functions reliably in standard synthetic workflows involving nucleophilic addition, reduction, and metal-catalyzed coupling reactions, making it a practical building block for complex heterocyclic systems and pharmaceutical intermediates.
Synthesis
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Route1
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67-56-1 -
In-stock
117-34-0 - ~97%
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In-stock
3469-00-9
References
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Xuanzhu Pharma Co., Ltd.; ZHANG, Hui; FAN, Mingwei; SUN, Liang Patent: EP2703398 A1, 2014 ; Location in patent: Paragraph 0143; 0144 ;
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Route2
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37167-62-7
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71-43-2
- ~81%
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In-stock
3469-00-9
References
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Lai, Ping-Shan; Dubland, Joshua A.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Taylor, Mark S. Tetrahedron, 2011 , vol. 67, # 39 p. 7586 - 7592
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Route3
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In-stock
591-50-4 -
101-41-7
- ~54%
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In-stock
3469-00-9
References
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Satoh, Tetsuya; Inoh, Jun-Ichi; Kawamura, Yoshiki; Kawamura, Yuichiro; Miura, Masahiro; Nomura, Masakatsu Bulletin of the Chemical Society of Japan, 1998 , vol. 71, # 9 p. 2239 - 2246
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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
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Precautionary Statements : P264-P270-P330
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.9915
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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