Lot numbers can be found on the outside label of a product:
5-(Methoxycarbonyl)thiophene-2-carboxylic acid
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CAS No. 50340-79-9
- Cat. No. CS-W005917
- Purity≥96%
- MDL No.MFCD01203161
*For research and further manufacturing use only, not for direct human use.
Structure of 50340-79-9
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General Information
- CAS No. 50340-79-9
- Cat. No. CS-W005917
- Purity ≥96%
- MDL No. MFCD01203161
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆O₄S
- Molecular Weight 186.19
- Synonym(s) 2,5-Thiophenedicarboxylic acid, monomethyl ester
- SMILES COC(=O)C1=CC=C(S1)C(O)=O
Description
5-(Methoxycarbonyl)thiophene-2-carboxylic acid features a thiophene core bearing both carboxylic acid and methoxycarbonyl groups at adjacent positions, enabling direct integration into heterocyclic scaffolds. This dual-functional architecture supports efficient coupling reactions and facilitates the synthesis of conjugated materials for organic electronics and medicinal chemistry applications.
Application
5-(Methoxycarbonyl)thiophene-2-carboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted thiophene scaffolds via standard ester hydrolysis, decarboxylation, or coupling reactions. Its dual functionality—carboxylic acid and ester groups—supports orthogonal transformations, while the thiophene core provides stability and compatibility with palladium-catalyzed cross-couplings. Ideal for medicinal chemistry and materials science applications requiring precise functionalization.
Synthesis
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Route1
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In-stock
4282-34-2 - ~86%
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In-stock
50340-79-9
References
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Pfizer Products Inc. Patent: WO2004/817 A2, 2003 ; Location in patent: Page 99 ; WO 2004/000817 A2
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Route2
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In-stock
4282-31-9 -
74-88-4 - ~27%
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In-stock
50340-79-9
References
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NISSAN CHEMICAL INDUSTRIES, LTD. Patent: WO2004/108683 A1, 2004 ; Location in patent: Page 548 ;
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Route3
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In-stock
67808-64-4 - ~72%
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In-stock
50340-79-9
References
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Goddard Journal of Heterocyclic Chemistry, 1991 , vol. 28, # 1 p. 17 - 28
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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 63.6
- LogP 1.2329
- H_Acceptors 4
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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