Benzeneselenol

Base Information

• Chemical Name: Benzeneselenol
• CAS No.: 645-96-5
• Molecular Formula: C6H6Se
• Molecular Weight: 157.074
• Hs Code.: 29319090
• European Community (EC) Number: 211-457-2
• DSSTox Substance ID: DTXSID30275709
• Nikkaji Number: J1.269.434B,J2.010.916E
• Wikipedia: Benzeneselenol
• ChEMBL ID: CHEMBL5186653
• Mol file: 645-96-5.mol

Synonyms:benzeneselenol;benzeneselenol sodium salt;selenophenol

Chemical Property of Benzeneselenol

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Refractive Index: n20/D 1.616(lit.)
• Boiling Point: 183.6 °C at 760 mmHg
• PKA: 4.73±0.70(Predicted)
• Flash Point: 70 °C
• PSA: 0.00000
• Density: 1.479 g/mL at 25 °C(lit.)
• LogP: 0.59290
• Sensitive.: Air Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.95565
• Heavy Atom Count: 7
• Complexity: 46.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzeneselenol >95.0%(GC)(T) ^*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]
• Uses: It is applied for reactions of phenylselenol and its anion. Benzeneselenol can used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes. Benzeneselenol may be used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes. It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes.

Technology Process of Benzeneselenol

There total 42 articles about Benzeneselenol 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: 99.0%

diphenyl diselenide (1666-13-3) → Benzeneselenol (645-96-5)

Guidance literature:

With sulfuric acid; zinc; In diethyl ether; water; at 20 ℃;

DOI:10.1055/s-2008-1078408

Reference yield: 97.0%

phenyl trimethylsilyl selenide (33861-17-5) → chloro-trimethyl-silane (75-77-4) + Benzeneselenol (645-96-5)

Guidance literature:

With hydrogenchloride; In acetonitrile;

DOI:10.1021/jo00320a012

Reference yield: 73.0%

phenylmagnesium bromide → Benzeneselenol (645-96-5)

Guidance literature:

With selenium; In diethyl ether;

upstream raw materials:

n-butyllithium

diphenylselenide

phenyl selenocyanate

benzeneseleninic acid

Downstream raw materials:

(phenylseleno)acetaldehyde dimethyl acetal

diphenyl diselenide

2-(phenylselanyl)benzoic acid

β-(phenylseleno)acrylic acid

Refernces

Synthetic Approach to Pentaleno<2,1-b:5,4-b'>diindoles

10.1021/jo00299a031

The research aimed to synthesize pentaleno[2,1-b:5,4-b']diindoles, which are complex organic compounds, using a combination of the Weiss reaction and the Fischer indole cyclization. The purpose was to prepare hexahydro-5,11-dihydropentaleno[2,1-b:5,4-b']diindoles and convert them into various 6,12-disubstituted derivatives. Despite numerous attempts, the researchers were unable to successfully convert these intermediates into bis(indo1o-substituted)pentalenes 5 or 6, as all attempts resulted in decomposition or ring scission products. The chemicals used in this process included phenylhydrazine, hydrochloric acid, selenium dioxide, phenylselenol, zinc iodide, and various solvents and reagents for chromatography and spectroscopic analysis. The conclusions drawn from the research were that while the diindole perhydropentalenes could be synthesized, the stabilization provided by the indole units in the targeted pentalenes was insufficient to prevent decomposition, suggesting that the benzene rings in dibenzopentalenes offer more effective stabilization than the indole units.

NEW BRIDGEHEAD-SUBSTITUTED 1-(ARYLSULFONYL)BICYCLO<1.1.0>BUTANES AND SOME NOVEL ADDITION REACTIONS OF THE BICYCLIC SYSTEM

10.1016/S0040-4020(01)80112-5

This research focuses on the synthesis and study of new 3-substituted bicyclobutanes derived from sulfones, with the aim of utilizing these compounds as precursors for highly substituted and functionalized cyclobutane derivatives. The study explores various addition reactions involving the central bond of the bicyclobutane system, including reactions with hydrazoic acid, cyanocuprate reagents, phenylselenol, and others, to introduce additional functional groups. The research concludes that these reactions are of wide scope and can be used to transform 3-allylated bicyclobutane derivatives into 1-(arylsulfonyl)bicyclo[2.1.1]hexanes through a sequence of cyclobutane formation, epoxidation, and intramolecular cyclization. Key chemicals used in the process include sulfones 1-7, various nucleophiles for addition reactions, and reagents for transformations such as epoxidation and cyclization. The study provides detailed procedures, yields, and physical properties of the synthesized compounds, along with their 'H NMR and other analytical data, highlighting the versatility and potential applications of these bicyclobutane derivatives in organic synthesis.

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