Lot numbers can be found on the outside label of a product:
Isochroman-1,3-dione
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CAS No. 703-59-3
- Cat. No. CS-W010863
- Purity≥95%
- MDL No.MFCD00006894
*For research and further manufacturing use only, not for direct human use.
Structure of 703-59-3
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General Information
- CAS No. 703-59-3
- Cat. No. CS-W010863
- Purity ≥95%
- MDL No. MFCD00006894
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆O₃
- Molecular Weight None
- Synonym(s) o-Carboxyphenylacetic acid cyclic anhydride~1,3-Isochromanedione
- SMILES O=C1OC(CC2=C1C=CC=C2)=O
Description
Isochroman-1,3-dione features a fused bicyclic core with two carbonyl groups in a 1,3-relationship, conferring enhanced stability and distinct electronic properties. This scaffold serves as a key building block in synthetic routes to bioactive molecules, particularly those requiring electron-deficient aromatic systems. Its rigid geometry facilitates precise spatial control in molecular design.
Application
Isochroman-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of complex heterocyclic scaffolds. Its fused benzene-furanone architecture provides inherent stability and predictable reactivity, facilitating nucleophilic additions and cycloaddition processes. The molecule functions effectively in transition-metal-catalyzed transformations and offers excellent functional group tolerance, making it well-suited for iterative synthesis workflows in medicinal chemistry and materials science.
Synthesis
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Route1
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In-stock
89-51-0 - ~99%
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In-stock
703-59-3
References
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CHINA PHARMACEUTICAL UNIVERSITY; Xiang, Hua; Wang, Tianlin; Xiao, Hong; You, Qidong; Yao, Yao; Li, Xiaobo; Liao, Qingjiang Patent: US2013/85140 A1, 2013 ; Location in patent: Paragraph 0040 ;
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Route2
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141058-88-0 - ~0%
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141058-89-1
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In-stock
703-59-3
References
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Biochem Pharma Inc. Patent: US5593970 A1, 1997 ;
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Route3
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17215-98-4
- ~96%
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In-stock
703-59-3
References
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Schank, Kurt; Beck, Horst; Pistorius, Susanne Helvetica Chimica Acta, 2004 , vol. 87, # 8 p. 2025 - 2049
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Safety Information
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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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.9261
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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