CID 9601264

Base Information

• Chemical Name: CID 9601264
• CAS No.: 55986-21-5
• Molecular Formula: C₁₄H₁₅NO₂SSe
• Molecular Weight: 340.305
• NSC Number: 306828
• DSSTox Substance ID: DTXSID20430603
• Mol file: 55986-21-5.mol

Synonyms:NSC306828;55986-21-5;DTXSID20430603;NSC-306828

Chemical Property of CID 9601264

Chemical Property:

• Vapor Pressure: 0.000331mmHg at 25°C
• Melting Point: 128.8-129.1 °C
• Boiling Point: 329.9±35.0 °C(Predicted)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 340.99887
• Heavy Atom Count: 19
• Complexity: 413

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=[Se](C)C2=CC=CC=C2
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)/N=[Se](\C)/C2=CC=CC=C2

Technology Process of CID 9601264

There total 2 articles about CID 9601264 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: 63.7%

phenylmethyl selenoxide (25862-09-3) + toluene-4-sulfonamide (70-55-3) → N-tosyl-Se,Se-methyl-phenylselenilimine (55986-21-5)

Guidance literature:

With sodium sulfate; In acetonitrile; for 2.5h; Heating;

Reference yield:

→ N-tosyl-Se,Se-methyl-phenylselenilimine (55986-21-5)

Guidance literature:

Methyl-phenyl-selenid, (CH3)3C-OCl, Na-p-Toluolsulfonamid;

Reference yield: 99.4%

N-tosyl-Se,Se-methyl-phenylselenilimine (55986-21-5) + triphenylphosphine (603-35-0) → phenylmethyl selenoxide (25862-09-3) + C25H24NO3PS + N-p-tolylsulfonylphosphine imide (1058-14-6)

Guidance literature:

In ethanol; at 80 ℃; for 1h; Product distribution; other solvents, other temperatures, other times;

upstream raw materials:

phenylmethyl selenoxide

toluene-4-sulfonamide

Downstream raw materials:

phenylmethyl selenoxide

N-p-tolylsulfonylphosphine imide