Copper(I) thiophene-2-carboxylate（CuTC） , CAS No.68986-76-5

CAS: 68986-76-5 Cat. No.: C115572 Molecular Weight: 190.69 EC Number: 633-277-7

Synonyms

6-aminonicotinic acid methylester | Q3055459 | SCHEMBL105248 | BENZYL2,3,4,6-TETRA-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE | copper(I) 2-thiophene carboxylate | Cuprous 2-thiophenecarboxylate | MFCD02183524 | SY022528 | ((thiophene-2-carbonyl)oxy)copper

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant or reagent involved in: Studies of xenobiotic response to herbicide safener derivatives; Synthesis of functionalized BODIPY dye analogs; Orthogonal cross-coupling reactions; Preparation of parent borondipyrromethene system; Copper mediated cross-coupling

Specifications

Synonyms

6-aminonicotinic acid methylester | Q3055459 | SCHEMBL105248 | BENZYL2, 3, 4, 6-TETRA-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSIDE | copper(I) 2-thiophene carboxylate | Cuprous 2-thiophenecarboxylate | MFCD02183524 | SY022528 | ((thiophene-2-carbonyl)oxy)copper

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CSC(=C1)C(=O)[O-].[Cu+]
• IUPAC Name: copper(1+);thiophene-2-carboxylate
• InChIKey: SFJMFSWCBVEHBA-UHFFFAOYSA-M
• INCHI: 1S/C5H4O2S.Cu/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
• Isomeric SMILES: C1=CSC(=C1)C(=O)[O-].[Cu+]
• Molecular Weight: 190.69
• Reaxy-Rn: 14099137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14099137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids
• Alternative Parents: Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Organooxygen compounds Organic oxides Organic copper salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid - Heteroaromatic compound - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic copper salt - Organic salt - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxylic acids. These are compounds containing a thiophene ring which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light & air & heat& moisture Sensitive
• Molecular Weight: 190.690 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 189.915 Da
• Monoisotopic Mass: 189.915 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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