Lot numbers can be found on the outside label of a product:
Methyl 4-formyl-2-methylbenzoate
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CAS No. 74733-23-6
- Cat. No. CS-0188428
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 74733-23-6
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General Information
- CAS No. 74733-23-6
- Cat. No. CS-0188428
- Purity ≥98%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₀O₃
- Molecular Weight 178.18
- Synonym(s) 3-formyl-5-methyl-1,3,4-thiadiazole-2-thione
- SMILES CC1=CC(=CC=C1C(=O)OC)C=O
Description
Methyl 4-formyl-2-methylbenzoate features a formyl group at the para position relative to the ester, creating a highly reactive electrophilic site ideal for nucleophilic additions. The adjacent methyl substituent provides steric and electronic modulation, enhancing stability while preserving reactivity in coupling processes. This aromatic aldehyde ester integrates readily into complex molecule synthesis under mild conditions.
Application
Methyl 4-formyl-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzaldehyde derivatives and heterocyclic scaffolds. Its formyl group facilitates nucleophilic additions, condensations, and cyclizations, while the methyl ester supports selective transformations. The molecule exhibits good bench stability and is readily purified by standard chromatographic methods, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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201230-82-2 -
In-stock
99548-55-7 - ~85%
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In-stock
74733-23-6
References
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ELI LILLY AND COMPANY Patent: WO2007/140174 A2, 2007 ; Location in patent: Page/Page column 46 ;
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Route2
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In-stock
103261-67-2 - ~63%
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In-stock
74733-23-6
References
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CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew; GAGNON, Alexandre; HARMANGE, Jean-christophe; NAVESCHUK, Christopher, G. Patent: WO2013/75083 A1, 2013 ; Location in patent: Paragraph 00467; 00470 ;
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Route3
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530145-28-9 - ~72%
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In-stock
74733-23-6
References
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ELI LILLY AND COMPANY Patent: WO2007/140174 A2, 2007 ; Location in patent: Page/Page column 36 ;
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 1.59412
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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