Lot numbers can be found on the outside label of a product:
Ethyl 2-chlorothiazole-4-carboxylate
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CAS No. 41731-52-6
- Cat. No. CS-0006056
- Purity≥95%
- MDL No.MFCD11045348
*For research and further manufacturing use only, not for direct human use.
Structure of 41731-52-6
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General Information
- CAS No. 41731-52-6
- Cat. No. CS-0006056
- Purity ≥95%
- MDL No. MFCD11045348
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆ClNO₂S
- Molecular Weight 191.64
- Synonym(s) Ethyl2-chloro-4-thiazolecarboxylate
- SMILES O=C(C1=CSC(Cl)=N1)OCC
Description
Ethyl 2-chlorothiazole-4-carboxylate features a reactive chloro-substituted thiazole core paired with an ester handle, enabling direct incorporation into cross-coupling and heterocycle construction workflows. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic thiazole scaffolds under standard conditions.
Application
Ethyl 2-chlorothiazole-4-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to thiazole-based scaffolds prevalent in medicinal chemistry. The chlorine atom at the 2-position provides a reliable site for nucleophilic substitution, facilitating coupling with amines, thiols, and other nucleophiles under mild conditions. Its bench-stable nature and compatibility with diverse functional groups make it ideal for modular derivatization in API development and process chemistry workflows.
Synthesis
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Route1
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In-stock
5398-36-7 - ~75%
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In-stock
41731-52-6
References
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PHARMAGENE LABORATORIES LIMITED Patent: WO2005/80367 A1, 2005 ; Location in patent: Page/Page column 109 ;
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Route2
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70-23-5 - ~%
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In-stock
41731-52-6
References
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Ehmke, Veronika; Quinsaat, Jose Enrico Q.; Rivera-Fuentes, Pablo; Heindl, Cornelia; Freymond, Celine; Rottmann, Matthias; Brun, Reto; Schirmeister, Tanja; Diederich, Francois Organic and Biomolecular Chemistry, 2012 , vol. 10, # 30 p. 5764 - 5768
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Route3
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In-stock
1001-26-9 - ~%
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In-stock
41731-52-6
References
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HANGZHOU BENSHENG PHARACEUTICALS CO., LTD.; Xu, Rongzhen; Xie, Fuwen; Lai, Hongxi; Rong, Frank Patent: US2013/178470 A1, 2013 ;
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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-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 39.19
- LogP 1.9732
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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