Lot numbers can be found on the outside label of a product:
Methyl 4-fluorobenzoate
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CAS No. 403-33-8
- Cat. No. CS-W007781
- Purity≥98%
- MDL No.MFCD00017959
*For research and further manufacturing use only, not for direct human use.
Structure of 403-33-8
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General Information
- CAS No. 403-33-8
- Cat. No. CS-W007781
- Purity ≥98%
- MDL No. MFCD00017959
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₇FO₂
- Molecular Weight 154.14
- Synonym(s) P-Fluorobenzoic Acid Methyl Ester
- SMILES O=C(OC)C1=CC=C(F)C=C1
Description
1-(2-Aminoethyl)piperidine is used in modification of vinylbenzyl chloride/divinylbenzene gel copolymer bead and in the synthesis of linkage isomers trans-bis[1-(2-aminoethyl)piperidine]dinitronickel and trans-bis[1-(2-aminoethyl)-piperidine]dinitritonickel. It is also used as a reactant for synthesis of: analogs of anticancer agents, inhibitor of botulinum neurotoxin serotype A light chain, P. falciparum malaria, and Ebola filovirus, cannabinoid CB1 receptor antagonists, small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells, potent and selective 5-HT6 antagonists and N-mustards as anticancer agents. 1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.
Application
Methyl 4-fluorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to fluorinated aromatic systems. Its ester functionality facilitates nucleophilic acyl substitution and subsequent transformations, while the para-fluoro group exhibits high stability and predictable reactivity in cross-coupling reactions. The compound demonstrates excellent bench stability and ease of purification, making it well-suited for use in medicinal chemistry and process development workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
459-56-3 - ~89%
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In-stock
403-33-8
References
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Liu, Chao; Wang, Jing; Meng, Lingkui; Deng, Yi; Li, Yao; Lei, Aiwen Angewandte Chemie - International Edition, 2011 , vol. 50, # 22 p. 5144 - 5148
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Route2
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67-56-1
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459-57-4 - ~90%
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In-stock
403-33-8
References
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Reddy, K. Rajender; Venkateshwar; Maheswari, C. Uma; Prashanthi Synthetic Communications, 2010 , vol. 40, # 2 p. 186 - 195
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Route3
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67-56-1
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In-stock
456-22-4 - ~99%
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In-stock
403-33-8
References
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Murty; Ram, Kesur R.; Rao, Rayudu Venkateswara; Yadav; Rao, Janapala Venkateswara; Pamanji; Velatooru Letters in Drug Design and Discovery, 2012 , vol. 9, # 3 p. 276 - 281
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 1760
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H227-H302-H315-H318-H335-H411
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Precautionary Statements : P210-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P391-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 1.6123
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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