3-(Phenylselanyl)propanoic acid

Base Information

• Chemical Name: 3-(Phenylselanyl)propanoic acid
• CAS No.: 16599-78-3
• Molecular Formula: C9H10O2Se
• Molecular Weight: 229.137
• DSSTox Substance ID: DTXSID10500763
• Nikkaji Number: J1.451.814B
• Wikidata: Q82352659
• Mol file: 16599-78-3.mol

Synonyms:3-(Phenylselanyl)propanoic acid;16599-78-3;SCHEMBL2877515;DTXSID10500763

Chemical Property of 3-(Phenylselanyl)propanoic acid

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 229.98460
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(Phenylselanyl)propanoic acid

There total 10 articles about 3-(Phenylselanyl)propanoic 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%

diphenyl diselenide (1666-13-3) + sodium 3-chloroproanoate (16987-03-4) → 3-(phenylselanyl)propanoic acid (16599-78-3)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 2.5h; Heating;

DOI:10.1002/ejoc.200300546

Reference yield: 91.0%

Ethyl 3-(Phenylseleno)propionate (109179-39-7) → 3-(phenylselanyl)propanoic acid (16599-78-3)

Guidance literature:

With hydrogenchloride; potassium hydroxide; In methanol; for 1h;

DOI:10.1080/00397910601133540

Reference yield: 79.0%

3-Bromopropionic acid (590-92-1) + diphenyl diselenide (1666-13-3) → 3-(phenylselanyl)propanoic acid (16599-78-3)

Guidance literature:

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

3-Bromopropionic acid; In ethanol; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201500124

upstream raw materials:

3-Bromopropionic acid

Benzeneselenol

acrylic acid

diphenyl diselenide

Downstream raw materials:

3-(phenylseleno)propionyl chloride

1-selenochroman-4-one

allyl (6S,7S)-8-oxo-3-<2-(phenylseleno)ethyl>-7-(tritylamino)-1-aza-4-oxabicyclo<4.2.0>oct-2-ene-2-carboxylate

allyl 2-<(3S,4S)-4-(hydroxymethyl)-2-oxo-3-tritylamino-1-azetidinyl>-3-oxo-5-(phenylseleno)pentanoate