CID 6332963

Base Information

• Chemical Name: CID 6332963
• CAS No.: 14354-58-6
• Molecular Formula: C₁₅H₁₁O₂*Tl
• Molecular Weight: 427.634
• NSC Number: 162781
• Mol file: 14354-58-6.mol

Synonyms:NSC162781;14354-58-6;NSC-162781

Chemical Property of CID 6332963

Chemical Property:

• Vapor Pressure: 2.74E-05mmHg at 25°C
• Boiling Point: 357.4°Cat760mmHg
• Flash Point: 146.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 429.05816
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.[Tl]

Technology Process of CID 6332963

There total 1 articles about CID 6332963 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: 80.0%

thallium(I) carbonate + 1,3-diphenylpropanedione (120-46-7,61346-73-4) → thallium 1,3-diphenylpropane-1,3-dionate (14354-58-6)

Guidance literature:

In ethanol; reflux of Tl-compd. and dibenzoylmethane in EtOH (vigorous stirring ,4 h); filtration of hot soln. (glass wool), crystn. by cooling of filtrate; elem. anal.;

DOI:10.1016/0022-328X(92)80200-H

Reference yield: 98.0%

trans-chloro(cyanomethyl)bis(triphenylphosphine)palladium(II) + thallium 1,3-diphenylpropane-1,3-dionate (14354-58-6) → (cyanomethyl)(1,3-diphenyl-1,3-propanedionato-O,O')(triphenylphosphine)palladium(II)

Guidance literature:

In dichloromethane; byproducts: thallium(I) chloride; equimolar amts. of reagents allowed to react in CH2Cl2 at room temp., stirred for 5 h; filtered, concd. in vac., petroleum ether added, ppt. recrystd. from CH2Cl2-petroleum ether; elem. anal.;

DOI:10.1246/bcsj.57.1012

Reference yield: 98.0%

carbon disulfide (75-15-0,12122-00-8) + thallium 1,3-diphenylpropane-1,3-dionate (14354-58-6) → [Tl2(S2C=C(C(O)Ph)2)]n

Guidance literature:

In carbon disulfide; byproducts: PhCOCH2COPh; stirring for 30 min; pptn. on Et2O addn., collection (filtration), drying in air; elem. anal.;

upstream raw materials:

1,3-diphenylpropanedione

Downstream raw materials:

[Mo(η(5)-C5H5)I(NO)(PhCOCHCOPh)]