Lot numbers can be found on the outside label of a product:
Methyl 4-cyano-2-methylbenzoate
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CAS No. 103261-67-2
- Cat. No. CS-B1028
- Purity≥97%
- MDL No.MFCD18399110
*For research and further manufacturing use only, not for direct human use.
Structure of 103261-67-2
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General Information
- CAS No. 103261-67-2
- Cat. No. CS-B1028
- Purity ≥97%
- MDL No. MFCD18399110
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₉NO₂
- Molecular Weight 175.18
- Synonym(s) 4-Cyano-2-methyl-benzoic acid methyl ester; Benzoic acid, 4-cyano-2-methyl-, methyl ester
- SMILES O=C(OC)C1=CC=C(C#N)C=C1C
Description
Methyl 4-cyano-2-methylbenzoate features a para-cyano group flanking a methyl-substituted aromatic ring, delivering enhanced electron-withdrawing character. This structural motif enables efficient integration into heterocyclic syntheses and serves as a key intermediate in the development of bioactive compounds. The ester functionality offers stability under standard conditions while supporting diverse downstream transformations.
Application
Methyl 4-cyano-2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and heterocyclic scaffolds. Its ortho-methyl and para-cyano groups provide orthogonal functional handles for selective transformations, while the ester moiety facilitates further derivatization via hydrolysis or nucleophilic substitution. The compound exhibits excellent bench stability and ease of purification, making it well-suited for multi-step synthesis in medicinal chemistry and process development workflows.
Synthesis
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Route1
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557-21-1 -
In-stock
99548-55-7 - ~89%
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In-stock
103261-67-2
References
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SYNGENTA PARTICIPATIONS AG; JUNG, Pierre Joseph Marcel; GODFREY, Christopher Richard Ayles; HUETER, Ottmar Franz; MAIENFISCH, Peter Patent: WO2010/127926 A1, 2010 ; Location in patent: Page/Page column 46 ;
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Route2
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In-stock
99548-55-7
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557-21-1
- ~90%
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In-stock
103261-67-2
References
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EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 430 ;
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Route3
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557-21-1
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In-stock
68837-59-2 - ~87%
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In-stock
103261-67-2
References
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SYNGENTA PARTICIPATIONS AG Patent: WO2009/77197 A1, 2009 ; Location in patent: Page/Page column 35 ;
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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 50.09
- LogP 1.6533
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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