Lot numbers can be found on the outside label of a product:
Ilurodoline impurity 10
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CAS No. 63113-79-1
- Cat. No. CS-0013225
- Purity≥95%
- MDL No.MFCD06411343
*For research and further manufacturing use only, not for direct human use.
Structure of 63113-79-1
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General Information
- CAS No. 63113-79-1
- Cat. No. CS-0013225
- Purity ≥95%
- MDL No. MFCD06411343
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₂O₃
- Molecular Weight 180.20
- Synonym(s) None
- SMILES COC1=CC=C(C)C=C1C(OC)=O
Description
Methyl 2-methoxy-5-methylbenzoate is a bench-stable, moisture-tolerant aromatic ester featuring a methoxy group at the ortho position and a methyl substituent at the para position relative to the ester. This electronic modulation enhances its utility in synthetic transformations requiring controlled reactivity. The compound integrates readily into complex molecular architectures during late-stage functionalization workflows.
Application
Methyl 2-methoxy-5-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and heterocyclic scaffolds. Its methyl ester functionality facilitates standard transformations such as hydrolysis, reduction, and coupling reactions. The ortho-methoxy and meta-methyl groups provide predictable regiochemical control in electrophilic aromatic substitutions and contribute to bench stability and ease of purification.
Synthesis
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Route1
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In-stock
89-56-5 -
74-88-4 - ~95%
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In-stock
63113-79-1
References
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Sumitomo Pharmaceuticals Company, Limited Patent: EP1550662 A1, 2005 ; Location in patent: Page/Page column 28 ;
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Route2
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In-stock
89-56-5
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77-78-1
- ~92%
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In-stock
63113-79-1
References
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Langlois, Michel; Bremont, Beatrice; Shen, Shuren; Poncet, Annie; Andrieux, Jean; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 12 p. 2050 - 2060
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Route3
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In-stock
22717-57-3 -
74-88-4
- ~%
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In-stock
63113-79-1
References
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Yeung, Kap-Sun; Meanwell, Nicholas A.; Qiu, Zhilei; Hernandez, Dennis; Zhang, Sharon; McPhee, Fiona; Weinheimer, Steve; Clark, James M.; Janc, James W. Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 17 p. 2355 - 2359
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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
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Precautionary Statements : P264-P270-P301+P310-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 35.53
- LogP 1.79022
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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