Lot numbers can be found on the outside label of a product:
Methyl 2-(2-formylphenyl)acetate
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CAS No. 63969-83-5
- Cat. No. CS-W019450
- Purity≥95%
- MDL No.MFCD12755820
*For research and further manufacturing use only, not for direct human use.
Structure of 63969-83-5
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General Information
- CAS No. 63969-83-5
- Cat. No. CS-W019450
- Purity ≥95%
- MDL No. MFCD12755820
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₃
- Molecular Weight 178.19
- Synonym(s) SHXH-INT B
- SMILES C(=O)C1=C(C=CC=C1)CC(=O)OC
Description
Methyl 2-(2-formylphenyl)acetate features a benzaldehyde moiety fused to an acetic acid ester, enabling direct integration into transition-metal-catalyzed couplings and cycloadditions. The ortho-aldehyde group enhances reactivity in electrophilic transformations, while the methyl ester offers stability under standard conditions. This compound serves as a key building block for heterocyclic scaffolds in medicinal chemistry and materials synthesis.
Application
Methyl 2-(2-formylphenyl)acetate serves as a versatile synthon in heterocyclic synthesis, enabling efficient access to benzimidazole and benzothiazole scaffolds via condensation with diamines or thioureas. The ortho-aldehyde functionality facilitates intramolecular cyclizations, while the ester group offers compatibility with standard functional group manipulations. Its bench-stable nature and straightforward purification make it well-suited for iterative synthetic campaigns in medicinal chemistry and process development.
Synthesis
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Route1
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1723-55-3 - ~%
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In-stock
63969-83-5
References
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US5166216 A1, ;
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Route2
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1358418-50-4 - ~65%
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In-stock
63969-83-5
References
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Kowalkowska, Anna; Jonczyk, Andrzej Synthetic Communications, 2011 , vol. 41, # 22 p. 3308 - 3317
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Route3
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67-56-1
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1723-55-3
- ~92%
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In-stock
63969-83-5
References
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Akbutina; Davydova; Zarudii; Sagitdinov; Miftakhov Pharmaceutical Chemistry Journal, 1998 , vol. 32, # 5 p. 255 - 257
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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 43.37
- LogP 1.2146
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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