Lot numbers can be found on the outside label of a product:
Methyl 2-(o-tolyl)acetate
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CAS No. 40851-62-5
- Cat. No. CS-0088539
- Purity≥96%
- MDL No.MFCD00082780
*For research and further manufacturing use only, not for direct human use.
Structure of 40851-62-5
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General Information
- CAS No. 40851-62-5
- Cat. No. CS-0088539
- Purity ≥96%
- MDL No. MFCD00082780
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₂
- Molecular Weight 164.20
- Synonym(s) Methyl o-tolylacetate
- SMILES O=C(OC)CC1=CC=CC=C1C
Description
Methyl 2-(o-tolyl)acetate is a bench-stable, moisture-tolerant aromatic ester featuring a methyl ester group flanked by a phenyl ring substituted with a methyl group at the ortho position. This structural motif enables direct incorporation into synthetic sequences requiring electron-rich aryl handles, streamlining access to functionalized biaryl scaffolds under standard conditions.
Application
Methyl 2-(o-tolyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzyl derivatives and heterocyclic scaffolds. Its ortho-tolyl group provides steric and electronic modulation, while the ester functionality supports transformations including hydrolysis, reduction, and coupling reactions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
644-36-0 - ~92%
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In-stock
40851-62-5
References
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Huazhong Normal University; Zhejiang Bosta Cropscience Co., Ltd. Patent: EP2301925 A1, 2011 ; Location in patent: Page/Page column 3; 4 ;
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Route2
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In-stock
644-36-0
- ~96%
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In-stock
40851-62-5
References
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Korea Research Institute of Chemical Technology Patent: US6552080 B1, 2003 ;
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Route3
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552-45-4
- ~94%
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In-stock
40851-62-5
References
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BASF Aktiengesellschaft Patent: US4424394 A1, 1984 ;
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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 1.71052
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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