Benzeneseleninic acid

Base Information

• Chemical Name: Benzeneseleninic acid
• CAS No.: 6996-92-5
• Molecular Formula: C6H6O2Se
• Molecular Weight: 189.072
• Hs Code.: 29310099
• European Community (EC) Number: 230-271-2
• DSSTox Substance ID: DTXSID70220238
• Nikkaji Number: J81.314A
• Wikidata: Q72507294
• ChEMBL ID: CHEMBL39469
• Mol file: 6996-92-5.mol

Synonyms:benzeneseleninic acid

Chemical Property of Benzeneseleninic acid

Chemical Property:

• Appearance/Colour: light yellow powder.
• Vapor Pressure: 15.7mmHg at 25°C
• Melting Point: 121-124 °C(lit.)
• Boiling Point: 114.4 °C at 760 mmHg
• PKA: pK1:4.79 (25°C)
• Flash Point: 23 °C
• PSA: 37.30000
• Density: 1.9300
• LogP: 0.18480
• Water Solubility.: Slightly soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.95330
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

98% ^*data from raw suppliers

Benzeneseleninic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; N
• Hazard Codes: T,N
• Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)[Se](=O)O
• Uses: Benzeneseleninic acid was used as catalyst during the oxidation of sulfides to sulfoxides via ligand coupling on the iodine atom. It was also used in the preparation of 3-methoxy-17a-oxa-D-homoestra-l,3,5(10)-trien-17-one.

Technology Process of Benzeneseleninic acid

There total 89 articles about Benzeneseleninic acid 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: 96.0%

N-p-nitrobenzoylbenzeneseleninimidoyl chloride (74061-06-6) → benzeneseleninic acid (6996-92-5) + 4-nitrobenzamide (619-80-7)

Guidance literature:

With water; at 20 ℃; for 3h; object of study: stability/reactivity of the title compound;

Reference yield: 92.0%

diphenyl diselenide (1666-13-3) → benzeneseleninic acid (6996-92-5)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; for 0.5h;

DOI:10.1055/s-1984-30956

Reference yield: 83.0%

dihydroxyphenylselenonium 4-methylphenyl sulfonate → benzeneseleninic acid (6996-92-5)

Guidance literature:

With sodium hydrogencarbonate; In water; Heating;

DOI:10.1080/00397919608003542

upstream raw materials:

diethyl ether

ethylphenylselenium dibromide

silver(I) acetate

ethanol

Downstream raw materials:

n-Butyl-benzolselenenyl-sulfid

Pyridine-4-carboselenoic acid Se-phenyl ester

p-tolyl benzeneselenosulfonate

acetyl phenyl selenide

Refernces

β-Phenylselenoethanol, an efficient reagent for the one-pot synthesis of aryl vinyl ethers

10.3184/030823408X360355

The research describes a novel and efficient method for the one-pot synthesis of aryl vinyl ethers using β-phenylselenoethanol as a reagent. The purpose of the study was to develop a more experimentally simple and efficient methodology for the preparation of aryl vinyl ethers, which are key intermediates in various synthetic applications and polymeric materials. The researchers achieved this through a two-step process involving the Mitsunobu reaction of β-phenylselenoethanol with phenols, followed by oxidation-elimination with 30% hydrogen peroxide. The method concluded with good yields (85–90%) and had the advantages of mild reaction conditions and convenient manipulation. Key chemicals used in the process included β-phenylselenoethanol, phenols, diphenyl diselenide, sodium hydride, HMPA, 2-chloroethanol, and various phenolic substrates with different substituents. The study also reported the recovery of diphenyl diselenide in a 60% yield through the addition of hydrazine monohydrate to the aqueous extract containing benzeneseleninic acid.