Lot numbers can be found on the outside label of a product:
Methyl 2-methylbenzoate
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CAS No. 89-71-4
- Cat. No. CS-W018154
- Purity≥98%
- MDL No.MFCD00008428
*For research and further manufacturing use only, not for direct human use.
Structure of 89-71-4
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General Information
- CAS No. 89-71-4
- Cat. No. CS-W018154
- Purity ≥98%
- MDL No. MFCD00008428
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O₂
- Molecular Weight 150.18
- Synonym(s) o-Toluic Acid Methyl Ester; Methyl 2-methylbenzoate
- SMILES O=C(OC)C1=CC=CC=C1C
Description
Methyl 2-methylbenzoate is a bench-stable, moisture-tolerant ester featuring a methyl-substituted benzene ring that enhances electron density at the ortho position. This structural motif enables efficient coupling in cross-coupling reactions and facilitates incorporation into complex aromatic frameworks under standard conditions.
Application
Methyl 2-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted aromatic systems via standard functional group transformations. Its methyl ester functionality facilitates nucleophilic acyl substitution and subsequent derivatization, while the ortho-methyl group provides steric and electronic modulation. The compound exhibits excellent bench stability and is readily purified by distillation or column chromatography, making it well-suited for use in multi-step synthesis, heterocycle construction, and medicinal chemistry applications.
Synthesis
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Route1
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118-90-1 -
67-56-1 - ~93%
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In-stock
89-71-4
References
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Hellwinkel, Dieter; Bohnet, Siegbert Chemische Berichte, 1987 , vol. 120, p. 1151 - 1174
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Route2
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67-56-1
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In-stock
529-20-4 - ~94%
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In-stock
89-71-4
References
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Noonan, Conor; Baragwanath, Louise; Connon, Stephen J. Tetrahedron Letters, 2008 , vol. 49, # 25 p. 4003 - 4006
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Route3
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118-90-1
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74-88-4
- ~93%
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In-stock
89-71-4
References
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E. R. Squibb and Sons, Inc. Patent: US4711900 A1, 1987 ;
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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 26.3
- LogP 1.78162
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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