Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate

Base Information

• Chemical Name: Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate
• CAS No.: 118428-20-9
• Molecular Formula: C17H23NO6S
• Molecular Weight: 369.439
• DSSTox Substance ID: DTXSID60575704
• Nikkaji Number: J489.651C
• Mol file: 118428-20-9.mol

Synonyms:118428-20-9;Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate;DTXSID60575704

Chemical Property of Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 369.12460863
• Heavy Atom Count: 25
• Complexity: 483

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(CCS(=O)C1=CC=CC=C1)(C(=O)OCC)NC(=O)C

Technology Process of Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate

There total 1 articles about Diethyl acetamido[2-(benzenesulfinyl)ethyl]propanedioate 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: 97.0%

Phenyl vinyl sulfoxide (20451-53-0) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphinyl)-butanoate (118428-20-9)

Guidance literature:

With potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride; at 60 ℃; for 1h;

Reference yield:

ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphinyl)-butanoate (118428-20-9) → ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate (120478-11-7)

Guidance literature:

In 1,4-dioxane; for 168h; cell suspension cultures of Thevetia neriifolia Juss_. (strain TH₅);

DOI:10.1016/0031-9422(92)80353-G

upstream raw materials:

Phenyl vinyl sulfoxide

2-acetylaminomalonic acid diethyl ester

Downstream raw materials:

ethyl 2-acetylamino-2-carbethoxy-4-(phenylsulphonyl)-butanoate

Refernces

• 1、 Shiraishi, Susumu,Nomoto, Shinya. "A Facile Synthesis of Racemic Vinylglycine". . p. 1601 - 1602. Retrieved 2007/10/02.