Tert-butyl 3-sulfanylpropanoate

Base Information

• Chemical Name: Tert-butyl 3-sulfanylpropanoate
• CAS No.: 59854-14-7
• Molecular Formula: C₇H₁₄O₂S
• Molecular Weight: 162.253
• European Community (EC) Number: 840-810-9
• Mol file: 59854-14-7.mol

Synonyms:tert-butyl 3-sulfanylpropanoate;59854-14-7;Propanoic acid, 3-mercapto-, 1,1-dimethylethyl ester;tert-butyl3-sulfanylpropanoate;SCHEMBL3899462;EN300-200297;F76113

Chemical Property of Tert-butyl 3-sulfanylpropanoate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 162.07145086
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

tert-butyl3-sulfanylpropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCS

Technology Process of Tert-butyl 3-sulfanylpropanoate

There total 1 articles about Tert-butyl 3-sulfanylpropanoate 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:

3-Xanthogenpropionsaeure-tert.-butylester (59854-03-4) → 1,1-dimethylethyl 3-thiopropanoate (59854-14-7)

Guidance literature:

With ethanolamine;

Reference yield: 59.0%

2,4-dichloro-6-phenyl-1,3,5-triazine (1700-02-3) + 1,1-dimethylethyl 3-thiopropanoate (59854-14-7) → di-tert-butyl 3,3'-((6-phenyl-1,3,5-triazine-2,4-diyl)bis(sulfanediyl))dipropionate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; at 120 ℃; for 3h; Microwave irradiation;

DOI:10.1021/acsmedchemlett.1c00388

Reference yield: 57.0%

1,1-dimethylethyl 3-thiopropanoate (59854-14-7) + 2-[(4-(decyloxy)phenoxy)methyl]oxirane (408501-42-8) → 1,1-dimethyl 3-[(3-(4-(decyloxy)phenoxy)-2-hydroxypropyl)thio]propanoate (408501-43-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In acetonitrile; for 3h; Heating;

DOI:10.1021/jm011050x

upstream raw materials:

3-Xanthogenpropionsaeure-tert.-butylester

Downstream raw materials:

3-{2-hydroxy-3-[4-(naphthalen-2-ylmethoxy)-phenoxy]-propylsulfanyl}-propionic acid tert-butyl ester

3-[3-(3-decyloxy-phenoxy)-2-hydroxy-propylsulfanyl]-propionic acid tert-butyl ester

1,1-dimethyl 3-[(3-(4-(decyloxy)phenoxy)-2-hydroxypropyl)thio]propanoate

3-[3-(2-decyloxy-phenoxy)-2-hydroxy-propylsulfanyl]-propionic acid tert-butyl ester