Dimethyl 4-phenylselenophene-2,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4-phenylselenophene-2,3-dicarboxylate
• CAS No.: 64254-45-1
• Molecular Formula: C₁₄H₁₂O₄Se
• Molecular Weight: 323.207
• DSSTox Substance ID: DTXSID20511840
• Wikidata: Q82370828

Synonyms:Dimethyl 4-phenylselenophene-2,3-dicarboxylate;64254-45-1;DTXSID20511840

Chemical Property of Dimethyl 4-phenylselenophene-2,3-dicarboxylate

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 323.99008
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C([Se]C=C1C2=CC=CC=C2)C(=O)OC

Technology Process of Dimethyl 4-phenylselenophene-2,3-dicarboxylate

There total 7 articles about Dimethyl 4-phenylselenophene-2,3-dicarboxylate 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: 51.2%

lithium 2-phenylethynylselenolate (78531-03-0) + dimethyl acetylenedicarboxylate (762-42-5) → Dimethyl 4-phenyl-2,3-selenophenedicarboxylate (64254-45-1) + 2-benzylidene-4-phenyl<2H(1,3-diselenole)> (15995-14-9)

Guidance literature:

In tetrahydrofuran; acetonitrile; Product distribution; overnight, influence of the nature of cation;

Reference yield: 27.4%

potassium 2-phenylethynylselenolate (36928-61-7) + dimethyl acetylenedicarboxylate (762-42-5) → Dimethyl 4-phenyl-2,3-selenophenedicarboxylate (64254-45-1) + Methyl 3-(2-phenylethynylseleno)propenoate (65299-53-8) + 2-benzylidene-4-phenyl<2H(1,3-diselenole)> (15995-14-9) + Dimethyl (2-phenylethynylseleno)butenedioate (81730-38-3)

Guidance literature:

In tetrahydrofuran; Further byproducts given;

Reference yield: 21.3%

potassium 2-phenylethynylselenolate (36928-61-7) + dimethyl acetylenedicarboxylate (762-42-5) → Dimethyl 4-phenyl-2,3-selenophenedicarboxylate (64254-45-1) + 2-benzylidene-4-phenyl<2H(1,3-diselenole)> (15995-14-9) + Dimethyl (2-phenylethynylseleno)butenedioate (81730-38-3) + Trimethyl 4-phenyl-2,3,5-selenophenetricarboxylate (81730-39-4)

Guidance literature:

In tetrahydrofuran; acetonitrile; Further byproducts given;

upstream raw materials:

lithium 2-phenylethynylselenolate

dimethyl acetylenedicarboxylate

potassium 2-phenylethynylselenolate

4-phenyl-1,2,3-selenadiazole

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