1401522-04-0

Basic information

• Product Name: 2-{(E,E,E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trien-1-yl}-3,5,8-trimethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide
• Synonyms: 2-{(E,E,E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trien-1-yl}-3,5,8-trimethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide
• CAS NO: 1401522-04-0
• Molecular Weight: 616.614
• Mol File: 1401522-04-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-{(E,E,E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trien-1-yl}-3,5,8-trimethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{(E,E,E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trien-1-yl}-3,5,8-trimethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide(1401522-04-0)
• EPA Substance Registry System: 2-{(E,E,E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trien-1-yl}-3,5,8-trimethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide(1401522-04-0)

Safety Data

• Hazardous Substances Data: 1401522-04-0(Hazardous Substances Data)

Upstream product

• 1401521-95-6 2,3,8-trimethylbisthiazolo[4,5-e;5,4-g]1,3-benzothiazole 
• 1401521-97-8 2,3,5,8-tetramethylbisthiazolo[4,5-e:5',4'-g]-1,3-benzothiazolium iodide 
• 20432-36-4 s-trans-((2trans-4trans)-5-(4-dimethylaminophenyl)phenyl)penta-2,4-dienal 

Relevant articles and documents

Benzotristhiazole based chromophores for nonlinear optics

Methylation of unsymmetrical trimethylbenzotristhiazole with various reagents has been studied in details. The structure of obtained 2,3,5,8-tetramethylbisthiazolo[4,5-e;5,4-g]-1,3-benzothiazolium iodide has been proved by X-ray analysis in accord with the quantum-chemical calculations at DFT-B3LYP level. The electron-withdrawing tetramethylbenzotristhiazolium building block was submitted to Knoevenagel reaction with aromatic aldehydes containing an electron-releasing group. This led to a series of condensation products with push-pull structure. Relations between structure, linear (UV-Vis and fluorescence spectra) and nonlinear optical properties (calculated frontier orbital energy gap, BLA index, hyperpolarizabilities β and γ) have been investigated.