Cu(OTs)₂ - ≥95% , CAS No.7144-37-8

CAS: 7144-37-8 Cat. No.: C463484 분자식: C₁₄H₁₄CuO₆S₂ 분자량: 405.93 EC 번호: 230-450-5

등급 & 순도 ≥95%

Synonyms

E74900 | Copper(II)tosylate | Benzenesulfonic acid, 4-methyl-, copper(2+) salt | Copper(II) tosylate | NSC 54225 | Copper bis(4-toluenesulfonate) | SCHEMBL209067 | AKOS040767394 | Benzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1) | DTXSID7064570 | EI

Storage

Room temperature

개요

Description

Copper(II) tosylate is a copper (II) catalyst used for a variety of transformations, including Mannich condensation, Friedel-Crafts reaction, and Henry reaction.

사양

동의어

E74900 | Copper(II)tosylate | Benzenesulfonic acid, 4-methyl-, copper(2+) salt | Copper(II) tosylate | NSC 54225 | Copper bis(4-toluenesulfonate) | SCHEMBL209067 | AKOS040767394 | Benzenesulfonic acid, 4-methyl-, copper(2+) salt (2:1) | DTXSID7064570 | EI

사양 및 순도

≥95%

보관 조건

Room temperature

순수함

≥95%

이름과 식별자

정식 스마일

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Cu+2]

IUPAC Name

copper;4-methylbenzenesulfonate

InChIKey

MRYMYQPDGZIGDM-UHFFFAOYSA-L

INCHI

1S/2C7H8O3S.Cu/c2*1-6-2-4-7(5-3-6)11(8,9)10;/h2*2-5H,1H3,(H,8,9,10);/q;;+2/p-2

이성체 SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[Cu+2]

분자량

405.93

Reaxy-Rn

8513333

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8513333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Organosulfonic acids Organic oxides Organic copper salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic transition metal salt - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic copper salt - Organic salt - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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

화학 및 물리적 특성

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 분자량: 405.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 404.953 Da
• Monoisotopic Mass: 404.953 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 193.000
• 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: 3

XLogP3