2,2,5-Triethyl-3-thiomorpholinone

Base Information

• Chemical Name: 2,2,5-Triethyl-3-thiomorpholinone
• CAS No.: 69226-23-9
• Molecular Formula: C10H19NOS
• Molecular Weight: 201.333
• DSSTox Substance ID: DTXSID20988937
• Mol file: 69226-23-9.mol

Synonyms:2,2,5-Triethyl-3-thiomorpholinone;BRN 0130275;3-Thiomorpholinone, 2,2,5-triethyl-;69226-23-9;DTXSID20988937;LS-152824;2,2,5-Triethyl-5,6-dihydro-2H-1,4-oxazine-3-thiol

Chemical Property of 2,2,5-Triethyl-3-thiomorpholinone

Chemical Property:

• Vapor Pressure: 0.00745mmHg at 25°C
• Boiling Point: 269°Cat760mmHg
• Flash Point: 116.5°C
• Density: 1.02g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.11873540
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1COC(C(=S)N1)(CC)CC

Technology Process of 2,2,5-Triethyl-3-thiomorpholinone

There total 4 articles about 2,2,5-Triethyl-3-thiomorpholinone 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:

2-ethyl-2-bromo-butyric acid (5456-23-5) → 2,2,5-triethyl-thiomorpholin-3-one (69226-23-9)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) NaOEt, EtOH, (ii) /BRN= 3596974/

2: aq. NH₃

3: H₂SO₄

With ammonium hydroxide; sulfuric acid;

DOI:10.1021/jm00338a012

Reference yield:

2-mercapto-2-ethylbutyric acid (52988-77-9) → 2,2,5-triethyl-thiomorpholin-3-one (69226-23-9)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄

With sulfuric acid;

DOI:10.1021/jm00338a012

Reference yield:

2-ethoxythiocarbonylmercapto-2-ethyl-butyric acid (90647-45-3) → 2,2,5-triethyl-thiomorpholin-3-one (69226-23-9)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NH₃

2: H₂SO₄

With ammonium hydroxide; sulfuric acid;

DOI:10.1021/jm00338a012

upstream raw materials:

2-ethylaziridine

2-ethyl-2-mercapto-butyric acid ethyl ester

2-ethyl-2-bromo-butyric acid

2-mercapto-2-ethylbutyric acid