Lot numbers can be found on the outside label of a product:
Isochroman
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CAS No. 493-05-0
- Cat. No. CS-W002017
- Purity≥98%
- MDL No.MFCD00006913
*For research and further manufacturing use only, not for direct human use.
Structure of 493-05-0
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General Information
- CAS No. 493-05-0
- Cat. No. CS-W002017
- Purity ≥98%
- MDL No. MFCD00006913
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₀O
- Molecular Weight 134.18
- Synonym(s) 3,4-dihydro-1H-isochromene; Isochroman
- SMILES O1CCc2c(C1)cccc2
Description
Isochroman serves as a core scaffold in bioactive molecule design, featuring a fused benzene and tetrahydrofuran ring system. This rigid, electron-rich framework enhances metabolic stability and enables selective interactions in target binding. The compound's bench-stable nature supports reliable handling in synthetic workflows and drug discovery applications.
Application
Isochroman serves as a versatile scaffold in medicinal chemistry, enabling the construction of bioactive heterocycles through established functionalization pathways. Its inherent stability and compatibility with common coupling reactions facilitate efficient derivatization at multiple positions. The core structure functions as a key building block for synthetic analogs targeting CNS-active compounds and natural product derivatives, offering predictable reactivity and ease of purification in standard laboratory workflows.
Synthesis
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Route1
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50-00-0 -
60-12-8
- ~98%
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In-stock
493-05-0
References
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TORRENT PHARMACEUTICALS LTD Patent: WO2005/80333 A1, 2005 ; Location in patent: Page/Page column 19 ;
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Route2
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54673-12-0
- ~%
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In-stock
493-05-0
References
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Yu, Yang; Yang, Weibo; Rominger, Frank; Hashmi, A. Stephen K. Angewandte Chemie - International Edition, 2013 , vol. 52, # 29 p. 7586 - 7589 Angew. Chem., 2013 , vol. 125, # 29 p. 7735 - 7738,4
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Route3
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4385-35-7 - ~83%
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In-stock
493-05-0
References
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Sakai, Norio; Moriya, Toshimitsu; Fujii, Kohji; Konakahara, Takeo Synthesis, 2008 , # 21 art. no. F14308SS, p. 3533 - 3536
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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 : H227-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 9.23
- LogP 1.7593
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 0
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