Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Base Information

• Chemical Name: Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)
• CAS No.: 60126-36-5
• Molecular Formula: C17H19NO4S
• Molecular Weight: 333.408
• European Community (EC) Number: 262-069-5
• DSSTox Substance ID: DTXSID0069387
• Mol file: 60126-36-5.mol

Synonyms:60126-36-5;EINECS 262-069-5;Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1);2-Methyl-3-ethylbenzoxazolium p-toluenesulfonate;3-Ethyl-2-methylbenzoxazolium p-toluenesulphonate;Benzoxazolium, 3-ethyl-2-methyl-, 4-methylbenzenesulfonate (1:1);SCHEMBL1833906;C10H12NO.C7H7O3S;DTXSID0069387;C10-H12-N-O.C7-H7-O3-S;Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonicacid (1:1)

Chemical Property of Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Chemical Property:

• PSA: 82.60000
• LogP: 4.02850
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 333.10347926
• Heavy Atom Count: 23
• Complexity: 353

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(OC2=CC=CC=C21)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of Benzoxazolium, 3-ethyl-2-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

There total 1 articles about Benzoxazolium, 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:

→ 2-methyl-3-ethyl-benzoxazolium tosylate (60126-36-5)

Guidance literature:

Reference yield:

2-methyl-3-ethyl-benzoxazolium tosylate (60126-36-5) → C10H11NO4S (63148-99-2) + C10H11NO4S (1428546-37-5)

Guidance literature:

With sulfuric acid; at 20 - 50 ℃; for 5h; Overall yield = 41 %; Overall yield = 0.1 g;

Reference yield:

2-methyl-3-ethyl-benzoxazolium tosylate (60126-36-5) + ((E)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(methylthio)-4-oxo-4,5-dihydrothiazol-3-ium) tosylate → Toluene-4-sulfonate3-ethyl-2-[3-ethyl-5-[3-methyl-3H-benzothiazol-(2E)-ylidene]-4-oxo-thiazolidin-(2Z)-ylidenemethyl]-benzooxazol-3-ium;

Guidance literature:

With triethylamine; In acetonitrile; at 70 ℃; for 1.5h;

DOI:10.1021/jm970590k

Downstream raw materials:

C₁₀H₁₁NO₄S

C₁₀H₁₁NO₄S

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