2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate | CAS No. 58051-98-2

2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate

Basic Information

CAS Number

58051-98-2

Molecular Formula

C20H18N6O4S

Molecular Weight

438.5 g/mol

AD

Basic Physical Properties

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4S/c1-14(27)30-12-11-25(10-2-9-21)16-5-3-15(4-6-16)23-24-20-22-18-8-7-17(26(28)29)13-19(18)31-20/h3-8,13H,2,10-12H2,1H3/b24-23+

InChIKey

ZNUBBVSUTSNSIM-WCWDXBQESA-N

LogP

5.42628

Complexity

700

Synonyms & References

English

  • Disperse Red 177
  • 2-((2-Cyanoethyl)(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl acetate
  • P65H6HJW6P
  • 2-[N-(2-cyanoethyl)-4-[(6-nitro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate
  • C.I. Disperse red 177
  • 68133-69-7
  • W-111333
  • DTXSID8071146
  • EINECS 268-697-6
  • SCHEMBL5943667
  • Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
  • 2-((p-(N-(2-Cyanoethyl)-N-(2-hydroxyethyl)amino)phenyl)azo)-6-nitrobenzothiazole acetate
  • NS00020446
  • 2-[(2-Cyanoethyl)[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl acetate
  • SCHEMBL16124940
  • 58051-98-2
  • Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(6-nitro-2-benzothiazolyl)diazenyl)phenyl)amino)-
  • 2-(4-(N-Cyanoethyl-N-(acetoxyethyl)amino)phenylazo)-6-nitrobenzothiazole
  • Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((6-nitro-2-benzothiazolyl)azo)phenyl)amino)-
  • Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]-
  • 3-[[2-(Acetyloxy)ethyl][4-[2-(6-nitro-2-benzothiazolyl)diazenyl]phenyl]amino]propanenitrile
  • 2-((2-cyanoethyl)(4-((6-nitrobenzothiazol-2-yl)azo)phenyl)amino)ethyl acetate
  • Latyl Red KC
  • Red FRL

FAQ

What are the physical and chemical properties of 2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate (CAS: 58051-98-2)?

This compound is a crystalline solid with a high molecular weight. It has low water solubility but is soluble in organic solvents like acetonitrile. It exhibits limited reactivity and is stable under normal conditions. It may undergo hydrolysis in basic conditions.

How is 2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate (CAS: 58051-98-2) typically synthesized?

This compound is synthesized via a multi-step process involving diazotization and coupling reactions. Commonly used catalysts include sodium hydroxide and sodium carbonate. The final step involves acetylation to yield the target compound.

What industries use 2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate (CAS: 58051-98-2)?

This compound is primarily used in pharmaceuticals for its potential as a drug precursor. It also finds applications in polymer science for functionalization purposes and in analytical chemistry for sensor developments.

What precautions should be taken when handling 2-[(2-Cyanoethyl){4-[(E)-(6-nitro-1,3-benzothiazol-2-yl)diazenyl]phenyl}amino]ethyl acetate (CAS: 58051-98-2)?

Handling this compound requires the use of personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up under a fume hood, and appropriate safety data sheets (SDS) should be consulted for detailed handling instructions.

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