Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 53019-76-4
• Deprecated CAS: 273723-64-1
• Molecular Formula: C21H21NO3S2
• Molecular Weight: 399.535
• Hs Code.: 2934999090
• European Community (EC) Number: 258-300-4
• DSSTox Substance ID: DTXSID9068821
• Mol file: 53019-76-4.mol

Synonyms:53019-76-4;Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1);EINECS 258-300-4;3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium;4-methylbenzenesulfonate;3-Ethyl-2-methylnaphtho(2,1-d)thiazolium toluene-p-sulphonate;Naphtho(2,1-d)thiazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1);Naphtho(2,1-d)thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1);3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulphonate;SCHEMBL8007151;DTXSID9068821;AKOS001026935;Z56756333

Chemical Property of Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.70000
• Density: g/cm³
• LogP: 5.65020
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 399.09628588
• Heavy Atom Count: 27
• Complexity: 448

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

There total 1 articles about Naphtho[2,1-d]thiazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (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:

ethyl ester of p-toluenesulfonic acid (80-40-0) + 2-methylnaphtho[2,1-d]thiazole (20686-62-8) → 3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulfonate (53019-76-4)

Guidance literature:

DOI:10.1021/ja01306a049

Reference yield: 15.0%

3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulfonate (53019-76-4) + <11-(N-methyl-N-phenylamino)-2,4,6,8,10-undecapentaen-1-ylidene>-N-methyl-N-phenylammonium chloride (34027-81-1) → 2-<13-(3-ethyl-6,7-benzo-2-benzothiazolinylidene)-1,3,5,7,9,11-tridecahexaen-1-yl>-3-ethyl-6,7-benzobenzothiazolium p-toluenesulfonate (98826-55-2)

Guidance literature:

With acetic anhydride; triethylamine; at 20 - 25 ℃; for 1.5h;

Reference yield:

3-ethyl-2-methylnaphtho[2,1-d]thiazolium toluene-p-sulfonate (53019-76-4) + benzoyl chloride (98-88-4) → 2-(3-ethyl-3H-naphtho[2,1-d]thiazol-2-ylidene)-1-phenyl-ethanone (31897-30-0)

Guidance literature:

In pyridine;

upstream raw materials:

ethyl ester of p-toluenesulfonic acid

2-methylnaphtho[2,1-d]thiazole

Downstream raw materials:

3-ethyl-2-(3,5,5-trimethyl-cyclohex-2-enylidenemethyl)-naphtho[2,1-d]thiazolium; iodide

4-(3-ethyl-3H-naphtho[2,1-d]thiazol-2-ylidene)-1-(2-hydroxy-phenyl)-but-2-en-1-one

3-ethyl-2-[3-(3-ethyl-3H-naphtho[2,1-d]thiazol-2-ylidenemethyl)-cyclohex-2-enylidenemethyl]-naphtho[2,1-d]thiazolium; toluene-4-sulfonate

2-(6-acetylsulfanyl-4-methoxy-hexa-1,3,5-trienyl)-3-ethyl-naphtho[2,1-d]thiazolium; 2-nitro-benzenesulfonate