5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-

Base Information

• Chemical Name: 5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-
• CAS No.: 76621-59-5
• Molecular Formula: C₂₂H₁₈NOPS
• Molecular Weight: 375.431
• DSSTox Substance ID: DTXSID40393625
• Wikidata: Q82192445

Synonyms:76621-59-5;2-Methyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-thione;5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-;DTXSID40393625;STL326242;AKOS022124969

Chemical Property of 5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 375.08467237
• Heavy Atom Count: 26
• Complexity: 555

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=S)O1

Technology Process of 5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)-

There total 1 articles about 5(4H)-Oxazolethione, 2-methyl-4-(triphenylphosphoranylidene)- 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: 68.0%

<1-(acetylamino)-2,2-dichlorovinyl>triphenylphosphonium chloride (76621-88-0) → (2-methyl-5-thioxo-2-oxazolin-4-ylidene)triphenylphosphorane (475198-55-1,76621-59-5,76621-93-7)

Guidance literature:

With sodium hydrogensulfide; In methanol;

Reference yield: 100.0%

(2-methyl-5-thioxo-2-oxazolin-4-ylidene)triphenylphosphorane (475198-55-1,76621-59-5,76621-93-7) + α-bromoacetophenone (70-11-1) → [2-Methyl-5-(2-oxo-2-phenyl-ethylsulfanyl)-oxazol-4-yl]-triphenyl-phosphonium; perchlorate

Guidance literature:

In dichloromethane; at 20 - 25 ℃; for 72h;

Reference yield: 99.0%

(2-methyl-5-thioxo-2-oxazolin-4-ylidene)triphenylphosphorane (475198-55-1,76621-59-5,76621-93-7) → C44H36N2OP2S2(2+)*2ClO4(1-)

Guidance literature:

With hydrogenchloride; In acetic acid; for 3h; Heating;

upstream raw materials:

<1-(acetylamino)-2,2-dichlorovinyl>triphenylphosphonium chloride

Downstream raw materials:

(5-Ethylsulfanyl-2-methyl-oxazol-4-yl)-triphenyl-phosphonium; iodide

(2-Methyl-5-methylsulfanyl-oxazol-4-yl)-triphenyl-phosphonium; iodide

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