Lot numbers can be found on the outside label of a product:
Methyl 4-methylbenzoate
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CAS No. 99-75-2
- Cat. No. CS-0008417
- Purity≥95%
- MDL No.MFCD00008441
*For research and further manufacturing use only, not for direct human use.
Structure of 99-75-2
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General Information
- CAS No. 99-75-2
- Cat. No. CS-0008417
- Purity ≥95%
- MDL No. MFCD00008441
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O₂
- Molecular Weight 150.18
- Synonym(s) 4-Methylbenzoic Acid Methyl Ester
- SMILES O=C(OC)C1=CC=C(C)C=C1
Description
The anaerobic oxidation of methyl p-toluate by cobalt(III) in acetic acid has been investigated.Methyl p-toluate has been employesd as catalyst to investigate the effect of internal/external donor pair in high-yield catalysts for propylene polymerization.
Application
Methyl 4-methylbenzoate serves as a stable, bench-ready building block for aromatic synthesis, enabling efficient derivatization via ester hydrolysis, Suzuki-Miyaura coupling, or electrophilic substitution. Its para-methyl substituent enhances electronic stability and facilitates orthogonal functionalization, while the methyl ester group offers predictable reactivity in standard transformations. Ideal for medicinal chemistry campaigns requiring modular aryl scaffold construction.
Synthesis
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Route1
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681-84-5 -
In-stock
104-87-0 - ~89%
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In-stock
99-75-2
References
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Lerebours, Rachel; Wolf, Christian Journal of the American Chemical Society, 2006 , vol. 128, # 40 p. 13052 - 13053
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Route2
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98-59-9
- ~83%
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In-stock
99-75-2
References
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Eastman Kodak Company Patent: US4507493 A1, 1985 ;
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Route3
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67-56-1
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In-stock
2789-88-0 - ~91%
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In-stock
99-75-2
References
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Wang, Azhong; Jiang, Huanfeng Journal of the American Chemical Society, 2008 , vol. 130, # 15 p. 5030 - 5031
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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 : H315
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Precautionary Statements : P264-P280-P302+P352-P362
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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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