Lot numbers can be found on the outside label of a product:
2-(Methylsulfonyl)aniline
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CAS No. 2987-49-7
- Cat. No. CS-0120048
- Purity≥98%
- MDL No.MFCD08444390
*For research and further manufacturing use only, not for direct human use.
Structure of 2987-49-7
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General Information
- CAS No. 2987-49-7
- Cat. No. CS-0120048
- Purity ≥98%
- MDL No. MFCD08444390
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉NO₂S
- Molecular Weight 171.22
- Synonym(s) 2-(Methylsulphonyl)aniline
- SMILES NC1=CC=CC=C1S(=O)(C)=O
Description
2-(Methylsulfonyl)aniline features a sulfonamide-linked methyl group that enhances solubility and metabolic stability. This electron-deficient aromatic scaffold integrates readily into pharmaceutical intermediates, enabling efficient coupling reactions under mild conditions. The compound serves as a key building block in the synthesis of bioactive molecules requiring polar, bench-stable functional groups.
Application
2-(Methylsulfonyl)aniline serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable sulfone group at the ortho position of an aromatic amine. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient synthesis of bioactive heterocycles and API intermediates. Functions as a key scaffold for kinase inhibitors and other pharmaceutical candidates requiring enhanced solubility and targeted electronic modulation.
Synthesis
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Route1
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In-stock
2976-34-3 - ~94%
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In-stock
2987-49-7
References
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Wyeth Patent: US2003/109750 A1, 2003 ;
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Route2
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20628-27-7 - ~86%
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In-stock
2987-49-7
References
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Andersen, Kenneth K.; Chumpradit, Sumalee; McIntyre, Debra J. Journal of Organic Chemistry, 1988 , vol. 53, # 20 p. 4667 - 4675
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Route3
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In-stock
6310-41-4 - ~%
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In-stock
2987-49-7
References
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Andersen, Kenneth K.; Chumpradit, Sumalee; McIntyre, Debra J. Journal of Organic Chemistry, 1988 , vol. 53, # 20 p. 4667 - 4675
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 60.16
- LogP 0.6723
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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