Lot numbers can be found on the outside label of a product:
Methyl 2-(3-nitrophenyl)acetate
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CAS No. 10268-12-9
- Cat. No. CS-0037328
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 10268-12-9
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General Information
- CAS No. 10268-12-9
- Cat. No. CS-0037328
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₉NO₄
- Molecular Weight 195.17
- Synonym(s) Methyl 3-nitrophenylacetate
- SMILES O=C(OC)CC1=CC=CC([N+]([O-])=O)=C1
Description
Methyl 2-(3-nitrophenyl)acetate is a bench-stable, moisture-tolerant ester featuring a para-nitro-substituted aryl group. This electron-deficient aromatic system enables efficient coupling reactions and serves as a key intermediate in synthetic routes to bioactive heterocycles. The methyl ester functionality offers straightforward derivatization under standard conditions.
Application
Methyl 2-(3-nitrophenyl)acetate serves as a versatile building block for nitroaryl-containing scaffolds, enabling efficient functionalization at the ortho-position relative to the phenyl ring. Its stability under standard reaction conditions and compatibility with diverse transformations—such as reduction of the nitro group, nucleophilic substitution, and transition-metal-catalyzed coupling—facilitates access to intermediates for pharmaceutical and agrochemical synthesis. The ester functionality allows straightforward manipulation via hydrolysis or derivatization, supporting modular route design.
Synthesis
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Route1
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67-56-1 -
In-stock
1877-73-2 - ~97%
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In-stock
10268-12-9
References
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GLAXO GROUP LIMITED Patent: WO2005/14552 A1, 2005 ; Location in patent: Page/Page column 80 ; WO 2005/014552 A1
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Route2
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In-stock
621-50-1 - ~89%
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In-stock
10268-12-9
References
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ANACOR PHARMACEUTICALS, INC.; HERNANDEZ, Vincent, S.; LI, Xianfeng; ZHANG, Suoming; AKAMA, Tsutomu; ZHANG, Yanchen; LIU, Yang; PLATTNER, Jacob, J.; ALLEY, Michael, Kevin Richard; ZHOU, Yasheen; NEIMAN, James, A. Patent: WO2011/60196 A1, 2011 ; Location in patent: Page/Page column 190 ;
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Route3
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In-stock
1877-73-2
- ~%
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In-stock
10268-12-9
References
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US5519048 A1, ; US 5519048 A
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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 69.44
- LogP 1.3103
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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