Acetic acid, (phenylseleno)-, ethyl ester

Base Information

• Chemical Name: Acetic acid, (phenylseleno)-, ethyl ester
• CAS No.: 51364-94-4
• Molecular Formula: C10H12O2Se
• Molecular Weight: 243.164
• DSSTox Substance ID: DTXSID20453094
• Nikkaji Number: J461.182I
• Wikidata: Q82274093
• Mol file: 51364-94-4.mol

Synonyms:Acetic acid, (phenylseleno)-, ethyl ester;51364-94-4;ethyl phenylselanylacetate;Ethyl (phenylseleno)acetate;ethyl (phenylselanyl)acetate;SCHEMBL10533051;DTXSID20453094;XQWGLHHVCVTOOC-UHFFFAOYSA-N;acetic acid, 2-(phenylseleno)-, ethyl ester

Chemical Property of Acetic acid, (phenylseleno)-, ethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 0.99750
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 244.00025
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Acetic acid, (phenylseleno)-, ethyl ester

There total 21 articles about Acetic acid, (phenylseleno)-, ethyl 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: 100.0%

diphenyl diselenide (1666-13-3) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(phenylselanyl)acetate (51364-94-4)

Guidance literature:

diphenyl diselenide; With sodium tetrahydroborate; In ethanol; at 0 ℃; for 0.166667h; Inert atmosphere;

chloroacetic acid ethyl ester; In ethanol; for 1h; Inert atmosphere;

DOI:10.1002/anie.201400617

Reference yield: 91.0%

diphenyl diselenide (1666-13-3) + ethyl bromoacetate (105-36-2) → ethyl 2-(phenylselanyl)acetate (51364-94-4)

Guidance literature:

With tin; In tetrahydrofuran; water; at 50 - 55 ℃; for 16h;

DOI:10.1055/s-1997-805

Reference yield: 79.0%

Phenylselenyl bromide (34837-55-3) + ethyl acetate (141-78-6) → ethyl 2-(phenylselanyl)acetate (51364-94-4)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.25h;

DOI:10.1016/S0040-4020(00)00647-5

upstream raw materials:

Phenylselenyl bromide

ethyl acetate

diazoacetic acid ethyl ester

diphenyl diselenide

Downstream raw materials:

ethyl 4-pentenoate

diphenyl diselenide

Ethyl 1-acetoxy-1-(phenylseleno)acetate

2-n-octylsulfanylpyridine