Lot numbers can be found on the outside label of a product:
Methyl 2-(4-chloro-2-nitrophenyl)acetate
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CAS No. 147124-37-6
- Cat. No. CS-0061876
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 147124-37-6
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General Information
- CAS No. 147124-37-6
- Cat. No. CS-0061876
- Purity ≥97%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₈ClNO₄
- Molecular Weight 229.62
- Synonym(s) Benzeneacetic acid, 4-chloro-2-nitro-, methyl ester
- SMILES COC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Description
Methyl 2-(4-chloro-2-nitrophenyl)acetate features a nitro-substituted aryl ring paired with a pendant ester group, enabling efficient incorporation into synthetic sequences. The electron-deficient aromatic system enhances reactivity in nucleophilic substitution pathways, while the methyl ester offers straightforward derivatization potential under standard conditions.
Application
Methyl 2-(4-chloro-2-nitrophenyl)acetate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted heterocycles and pharmaceutical intermediates. The molecule combines a readily manipulable ester group with ortho-directing nitro and meta-chloro substituents, facilitating sequential functionalization. It exhibits excellent bench stability and compatibility with standard coupling, reduction, and cyclization protocols, making it well-suited for iterative synthesis workflows in medicinal and process chemistry.
Synthesis
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Route1
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582305-49-5 - ~95%
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In-stock
147124-37-6
References
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PFIZER INC. Patent: WO2004/56806 A1, 2004 ; Location in patent: Page 36 ; WO 2004/056806 A1
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Route2
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147124-32-1 - ~67%
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In-stock
147124-37-6
References
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Quallich; Morrissey Synthesis, 1993 , # 1 p. 51 - 53
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Route3
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89-61-2
- ~%
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In-stock
147124-37-6
References
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Quallich; Morrissey Synthesis, 1993 , # 1 p. 51 - 53
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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-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP 1.9637
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 3
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Key Words
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