1,2-Diazetidin-3-one; 4-methylbenzene-1-sulfonic acid

Base Information

• Chemical Name: 1,2-Diazetidin-3-one; 4-methylbenzene-1-sulfonic acid
• CAS No.: 79289-49-9
• Molecular Formula: C₂H₄N₂O*C₇H₈O₃S
• Molecular Weight: 244.271

Synonyms:79289-49-9;1,2-diazetidin-3-one;4-methylbenzene-1-sulfonic acid;diazetidin-3-one;4-methylbenzenesulfonic acid;EN300-6735069;1,2-diazetidin-3-one, 4-methylbenzene-1-sulfonic acid

Chemical Property of 1,2-Diazetidin-3-one; 4-methylbenzene-1-sulfonic acid

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 244.05177804
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1C(=O)NN1

Technology Process of 1,2-Diazetidin-3-one; 4-methylbenzene-1-sulfonic acid

There total 2 articles about 1,2-Diazetidin-3-one; 4-methylbenzene-1-sulfonic acid 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: 90.0%

1-(diphenylmethylene)-3-oxo-1,2-diazetidinium hydroxide, inner salt (20958-76-3) + toluene-4-sulfonic acid (104-15-4) → benzophenone (119-61-9) + 3-oxo-1,2-diazetidinium tosylate (79289-49-9)

Guidance literature:

In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/ja00416a009

Reference yield: 90.0%

1-(diphenylmethylene)-3-oxo-1,2-diazetidinium hydroxide, inner salt (20958-76-3) + toluene-4-sulfonic acid (104-15-4) → 3-oxo-1,2-diazetidinium tosylate (79289-49-9)

Guidance literature:

In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/ja00415a047

Reference yield: 99.0%

3-oxo-1,2-diazetidinium tosylate (79289-49-9) + 3-phenyl-propenal (104-55-2) → C11H10N2O (92184-50-4)

Guidance literature:

With sodium hydrogencarbonate; In N,N-dimethyl-formamide;

DOI:10.1021/ja00415a047

upstream raw materials:

1-(diphenylmethylene)-3-oxo-1,2-diazetidinium hydroxide, inner salt

toluene-4-sulfonic acid

Downstream raw materials:

C₈H₁₂N₂O

C₁₀H₁₀N₂O

2,7-Dibenzyl-1,3,6,8-tetraaza-tricyclo[6.2.0.0^3,6]decane-4,9-dione

C₉H₇ClN₂O

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