Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1)

Base Information

• Chemical Name: Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1)
• CAS No.: 41737-77-3
• Deprecated CAS: 90230-46-9
• Molecular Formula: C₇H₇O₃S*C₂₁H₁₉N₂S
• Molecular Weight: 502.658
• DSSTox Substance ID: DTXSID2068347

Synonyms:41737-77-3;2-(2-Anilinovinyl)-1-ethylnaphtho(1,2-d)thiazolium 4-methylbenzenesulfonate;Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1);Naphtho[1,2-d]thiazolium, 1-ethyl-2-[2-(phenylamino)ethenyl]-, salt with 4-methylbenzenesulfonic acid (1:1);Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, salt with 4-methylbenzenesulfonic acid (1:1);DTXSID2068347;C21H19N2S.C7H7O3S;C21-H19-N2-S.C7-H7-O3-S;Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, saltwith 4-methylbenzenesulfonic acid (1:1)

Chemical Property of Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1)

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 502.13848504
• Heavy Atom Count: 35
• Complexity: 625

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=CNC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]
• Isomeric SMILES: CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C/NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1)

There total 1 articles about Naphtho(1,2-d)thiazolium, 1-ethyl-2-(2-(phenylamino)ethenyl)-, 4-methylbenzenesulfonate (1:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-ethyl-2-methylnaphtho[1,2-d]thiazolium p-toluenesulphonate (42952-29-4) + N,N'-diphenylformamidine (864131-95-3) → 2-(2-anilino-vinyl)-1-ethyl-naphtho[1,2-d]thiazolium; toluene-4-sulfonate (41737-77-3)

Guidance literature:

at 140 ℃; for 0.166667h;

Reference yield:

1-ethyl-2-methyl-thieno[2',3':5,6]benzo[1,2-d]thiazolium; toluene-4-sulfonate (40949-34-6) + 2-(2-anilino-vinyl)-1-ethyl-naphtho[1,2-d]thiazolium; toluene-4-sulfonate (41737-77-3) → 1-ethyl-2-[3-(1-ethyl-1H-thieno[2',3':5,6]benzo[1,2-d]thiazol-2-ylidene)-propenyl]-naphtho[1,2-d]thiazolium; toluene-4-sulfonate (40949-21-1)

Guidance literature:

With triethylamine; In ethanol;

DOI:10.1007/BF00944216

upstream raw materials:

1-ethyl-2-methylnaphtho[1,2-d]thiazolium p-toluenesulphonate

N,N'-diphenylformamidine

Downstream raw materials:

1-ethyl-2-[3-(1-ethyl-1H-thieno[2',3':5,6]benzo[1,2-d]thiazol-2-ylidene)-propenyl]-naphtho[1,2-d]thiazolium; toluene-4-sulfonate

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