Methylseleno benzene

Base Information

• Chemical Name: Methylseleno benzene
• CAS No.: 4346-64-9
• Molecular Formula: C7H8 Se
• Molecular Weight: 171.101
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90195858
• Nikkaji Number: J469.299C
• Wikidata: Q83068914
• Mol file: 4346-64-9.mol

Synonyms:methyl phenyl selenide

Chemical Property of Methylseleno benzene

Chemical Property:

• Vapor Pressure: 0.675mmHg at 25°C
• Boiling Point: 192.6°Cat760mmHg
• Flash Point: 70.3°C
• PSA: 0.00000
• Density: g/cm³
• LogP: 1.06420
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 171.97912
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[Se]C1=CC=CC=C1

Technology Process of Methylseleno benzene

There total 90 articles about Methylseleno benzene 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: 100.0%

Benzeneselenol (645-96-5) + methyl iodide (74-88-4) → selenoanisole (4346-64-9)

Guidance literature:

With cesium hydroxide; 4 A molecular sieve; In N,N-dimethyl-formamide; at 23 ℃; for 5.5h;

DOI:10.1021/jo0401265

Reference yield: 95.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + diphenyl diselenide (1666-13-3) → selenoanisole (4346-64-9) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

diphenyl diselenide; With aluminum (III) chloride; zinc; In acetonitrile; at 70 ℃; for 1.25h; under 760.051 Torr; Neutral;

benzoic acid methyl ester; In acetonitrile; at 70 ℃; for 5h; under 760.051 Torr; Neutral;

DOI:10.1016/j.tetlet.2008.11.036

Reference yield: 92.0%

methyl 2,4,6-trimethylbenzoate (2282-84-0) + diphenyl diselenide (1666-13-3) → mesitylenecarboxylic acid (480-63-7) + selenoanisole (4346-64-9)

Guidance literature:

diphenyl diselenide; With aluminum (III) chloride; zinc; In acetonitrile; at 70 ℃; for 1.25h; under 760.051 Torr; Neutral;

methyl 2,4,6-trimethylbenzoate; In acetonitrile; at 70 ℃; for 6h; under 760.051 Torr; Neutral;

DOI:10.1016/j.tetlet.2008.11.036

upstream raw materials:

phenylmethyl selenoxide

diphenyl diselenide

Benzeneselenol

dimethyl sulfate

Downstream raw materials:

methyl(phenyl)selenium dichloride

phenyl methyl selenide dibromide

1-(4-(methylselanyl)phenyl)ethanone

phenylmethyl selenoxide

Refernces

• 1、 An, Shaoyu,Li, Pingfan,Zhang, Zhong. "Metal-Free Synthesis of Selenodihydronaphthalenes by Selenoxide-Mediated Electrophilic Cyclization of Alkynes". . p. 3059 - 3070. Retrieved 2021/07/22.
• 2、 Shi, Yuyao,Li, Pingfan. "Transition-metal-free phenylselenylation of arenes with triflic anhydride activated methyl phenyl selenoxide". supporting information. p. 3104 - 3107. Retrieved 2018/07/13.