Lot numbers can be found on the outside label of a product:
4-(Hydroxymethyl)benzene-1-sulfonamide
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CAS No. 67472-44-0
- Cat. No. CS-0238163
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 67472-44-0
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General Information
- CAS No. 67472-44-0
- Cat. No. CS-0238163
- Purity ≥96%
- MDL No. None
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₉NO₃S
- Molecular Weight 187.22
- Synonym(s) 4-(Hydroxymethyl)benzenesulfonamide
- SMILES O=S(C1=CC=C(CO)C=C1)(N)=O
Description
4-(Hydroxymethyl)benzene-1-sulfonamide features a sulfonamide group attached to a para-hydroxymethyl-substituted benzene ring, combining strong hydrogen-bonding capacity with enhanced solubility. This scaffold integrates well into bioactive molecules requiring polar functionality and metabolic stability, particularly in kinase inhibitor design and medicinal chemistry lead optimization.
Application
4-(Hydroxymethyl)benzene-1-sulfonamide serves as a versatile building block in medicinal chemistry, enabling the introduction of both sulfonamide and primary alcohol functionalities. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient derivatization for targeted compound libraries. The molecule functions as a key intermediate in the synthesis of bioactive heterocycles and sulfonamide-containing pharmaceutical scaffolds.
Synthesis
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Route1
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22808-73-7 - ~72%
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In-stock
67472-44-0
References
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G.D. Searle and Co. Patent: US5935990 A1, 1999 ;
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Route2
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In-stock
138-41-0 - ~74%
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In-stock
67472-44-0
References
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Procopiou, Panayiotis A.; Barrett, Victoria J.; Bevan, Nicola J.; Biggadike, Keith; Box, Philip C.; Butchers, Peter R.; Coe, Diane M.; Conroy, Richard; Emmons, Amanda; Ford, Alison J.; Holmes, Duncan S.; Horsley, Helen; Kerr, Fern; Li-Kwai-Cheung, Anne-Marie; Looker, Brian E.; Mann, Inderjit S.; McLay, Iain M.; Morrison, Valerie S.; Mutch, Peter J.; Smith, Claire E.; Tomlin, Paula Journal of Medicinal Chemistry, 2010 , vol. 53, # 11 p. 4522 - 4530
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Route3
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In-stock
3240-35-5 - ~92%
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In-stock
67472-44-0
References
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Yang, Li-Ming; Lin, Shwu-Jiuan; Hsu, Fen-Lin; Yang, Tsang-Hsiung Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 7 p. 1013 - 1015
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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-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P501
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Quality Control
Computational Chemistry Data
- TPSA 80.39
- LogP -0.1737
- H_Acceptors 3
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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