Lot numbers can be found on the outside label of a product:
1-Chloroisoquinoline-5-sulfonyl chloride
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CAS No. 141519-77-9
- Cat. No. CS-0090429
- Purity≥97%
- MDL No.MFCD11052630
*For research and further manufacturing use only, not for direct human use.
Structure of 141519-77-9
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General Information
- CAS No. 141519-77-9
- Cat. No. CS-0090429
- Purity ≥97%
- MDL No. MFCD11052630
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₅Cl₂NO₂S
- Molecular Weight None
- Synonym(s) 1-chloro-isoquinolin-5-sulfonyl chloride
- SMILES O=S(C1=CC=CC2=C1C=CN=C2Cl)(Cl)=O
Description
1-Chloroisoquinoline-5-sulfonyl chloride features a reactive sulfonyl chloride group appended to an isoquinoline scaffold, enabling direct incorporation into pharmaceutical intermediates. The electron-deficient heterocycle enhances electrophilic reactivity, while the chloro substituent provides orthogonal functionalization potential. This compound serves as a key building block for targeted conjugation in medicinal chemistry and materials synthesis.
Application
1-Chloroisoquinoline-5-sulfonyl chloride serves as a versatile electrophilic sulfonylating agent, enabling efficient introduction of the sulfonamide moiety into diverse nucleophiles. Its reactivity is well-documented in constructing isoquinoline-based scaffolds relevant to medicinal chemistry and agrochemical development. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for use in multi-step synthesis workflows requiring functional group tolerance and predictable regioselectivity.
Synthesis
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Route1
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7790-94-5 -
In-stock
19493-44-8 - ~86%
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In-stock
141519-77-9
References
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ELI LILLY AND COMPANY Patent: WO2004/94386 A1, 2004 ; Location in patent: Page 27 ; WO 2004/094386 A1
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Route2
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In-stock
19493-44-8
- ~80%
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In-stock
141519-77-9
References
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Collins, Ian; Caldwell, John; Fonseca, Tatiana; Donald, Alastair; Bavetsias, Vassilios; Hunter, Lisa-Jane K.; Garrett, Michelle D.; Rowlands, Martin G.; Aherne, G. Wynne; Davies, Thomas G.; Berdini, Valerio; Woodhead, Steven J.; Davis, Deborah; Seavers, Lisa C. A.; Wyatt, Paul G.; Workman, Paul; McDonald, Edward Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 4 p. 1255 - 1273
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Route3
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105627-80-3 - ~%
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In-stock
141519-77-9
References
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US6248738 B1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 1759
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 47.03
- LogP 2.8157
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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