Benzene, 1-methyl-3-(phenylseleno)-

Base Information

• Chemical Name: Benzene, 1-methyl-3-(phenylseleno)-
• CAS No.: 94800-49-4
• Molecular Formula: C13H12Se
• Molecular Weight: 247.198
• DSSTox Substance ID: DTXSID90468776
• Nikkaji Number: J1.594.920A
• Wikidata: Q82296169
• Mol file: 94800-49-4.mol

Synonyms:Benzene, 1-methyl-3-(phenylseleno)-;94800-49-4;DTXSID90468776

Chemical Property of Benzene, 1-methyl-3-(phenylseleno)-

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 248.01042
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)[Se]C2=CC=CC=C2

Technology Process of Benzene, 1-methyl-3-(phenylseleno)-

There total 18 articles about Benzene, 1-methyl-3-(phenylseleno)- 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: 98.0%

diphenyl diselenide (1666-13-3) + m-tolylboronic acid (17933-03-8) → 3-methylphenyl phenyl selenide (94800-49-4)

Guidance literature:

With C₂₈H₂₀CuN₄O₂; In dimethyl sulfoxide; at 100 ℃; for 10h; Green chemistry;

DOI:10.1016/j.mcat.2018.02.028

Reference yield: 93.0%

→ 3-methylphenyl phenyl selenide (94800-49-4)

Guidance literature:

With trichloroisocyanuric acid; In tetrahydrofuran; at 25 ℃; for 4h;

Reference yield: 91.0%

Phenylselenyl bromide (34837-55-3) + m-tolylboronic acid (17933-03-8) → 3-methylphenyl phenyl selenide (94800-49-4)

Guidance literature:

With copper(II) sulfate supported on the solid alumina; potassium carbonate; In tetrahydrofuran; at 70 ℃; for 8.5h;

DOI:10.1021/jo100755g

upstream raw materials:

phenyl selenocyanate

m-tolyllithium

bis(3-methylphenyl) diselenide

diphenyl diselenide

Downstream raw materials:

dichloro-phenyl-m-tolyl-λ⁴-selane

Refernces

• 1、 -. "Method for preparing asymmetric organic selenium ether compounds through metal-free chemical oxidation method (by machine translation)". Paragraph 0059-0062. . Retrieved 2020/12/09.
• 2、 Zhao, Ruonan,Yan, Chenyu,Jiang, Yuanyuan,Cai, Mingzhong. "Efficient heterogeneous copper-catalysed C–Se coupling of aryl iodides with symmetrical diselenides towards unsymmetrical monoselenides". . p. 584 - 588. Retrieved 2018/11/27.