Benzoic acid, 4-(phenylseleno)-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(phenylseleno)-, methyl ester
• CAS No.: 105417-32-1
• Molecular Formula: C14H12O2Se
• Molecular Weight: 291.208
• DSSTox Substance ID: DTXSID90464157
• Nikkaji Number: J1.852.067B
• Wikidata: Q82289367
• Mol file: 105417-32-1.mol

Synonyms:Benzoic acid, 4-(phenylseleno)-, methyl ester;105417-32-1;SCHEMBL5887875;DTXSID90464157

Chemical Property of Benzoic acid, 4-(phenylseleno)-, methyl ester

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 292.00025
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzoic acid, 4-(phenylseleno)-, methyl ester

There total 11 articles about Benzoic acid, 4-(phenylseleno)-, methyl ester 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%

4-methoxycarbonylphenyl bromide (619-42-1) + Benzeneselenol (645-96-5) → 4-methoxycarbonylphenyl phenyl selenide (105417-32-1)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 12h; Irradiation; Glovebox;

DOI:10.1039/d1cc06152f

Reference yield: 96.0%

diphenyl diselenide (1666-13-3) + 4-methoxycarbonylphenylboronic acid (99768-12-4) → 4-methoxycarbonylphenyl phenyl selenide (105417-32-1)

Guidance literature:

With iron; In dimethyl sulfoxide; at 130 ℃; for 20h;

DOI:10.1002/adsc.200900095

Reference yield: 94.0%

methyl 4-iodobenzoate (619-44-3) + sodium phenylselenide (23974-72-3) → 4-methoxycarbonylphenyl phenyl selenide (105417-32-1)

Guidance literature:

With di-μ-iodobis(tri-t-butylphosphino)dipalladium(l); In toluene; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1002/chem.201900951

upstream raw materials:

4-(phenylselanyl)benzoic acid

methyl 4-iodobenzoate

Benzeneselenol

diphenyl diselenide