Benzene, 1,2-bis[(phenylseleno)methyl]-

Base Information

• Chemical Name: Benzene, 1,2-bis[(phenylseleno)methyl]-
• CAS No.: 78808-36-3
• Molecular Formula: C20H18Se2
• Molecular Weight: 416.283
• DSSTox Substance ID: DTXSID80446644
• Nikkaji Number: J910.084I
• Wikidata: Q82265355
• Mol file: 78808-36-3.mol

Synonyms:78808-36-3;Benzene, 1,2-bis[(phenylseleno)methyl]-;PSYSNERBXJWYAS-UHFFFAOYSA-;DTXSID80446644;1,2-Bis(phenylselenomethyl)benzene;InChI=1/C20H18Se2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2

Chemical Property of Benzene, 1,2-bis[(phenylseleno)methyl]-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 417.97389
• Heavy Atom Count: 22
• Complexity: 262

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[Se]CC2=CC=CC=C2C[Se]C3=CC=CC=C3

Technology Process of Benzene, 1,2-bis[(phenylseleno)methyl]-

There total 4 articles about Benzene, 1,2-bis[(phenylseleno)methyl]- 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%

diphenyl diselenide (1666-13-3) + α,α'-dibromo-o-xylene (91-13-4) → 1,2-bis[(phenylseleno)methyl]benzene (78808-36-3)

Guidance literature:

diphenyl diselenide; With sodium tetrahydroborate; sodium hydroxide; In ethanol; Inert atmosphere;

α,α'-dibromo-o-xylene; In ethanol; Inert atmosphere;

DOI:10.1021/om500149n

Reference yield: 87.0%

phenyl selenocyanate (2179-79-5) → 1,2-bis[(phenylseleno)methyl]benzene (78808-36-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 5h; Heating;

DOI:10.1246/bcsj.55.182

Reference yield: 75.0%

sodium phenylselenide (23974-72-3) + ethyl acrylate (140-88-5,9003-32-1) → Ethyl 3-(Phenylseleno)propionate (109179-39-7) + 1,2-bis[(phenylseleno)methyl]benzene (78808-36-3)

Guidance literature:

With α,α'-dibromo-o-xylene; In tetrahydrofuran; ethanol; for 2h; Heating;

DOI:10.1246/bcsj.59.3013

upstream raw materials:

sodium phenylselenide

α,α'-dibromo-o-xylene

ethyl acrylate

phenyl selenocyanate

Downstream raw materials:

9,10-dihydroanthracene

1,3-dihydro-2-benzoselenophene

anthracene

diphenyl diselenide