2-Methylthiomorpholin-3-one

Base Information

• Chemical Name: 2-Methylthiomorpholin-3-one
• CAS No.: 69226-20-6
• Molecular Formula: C5H9NOS
• Molecular Weight: 131.199
• Hs Code.: 2934999090
• NSC Number: 17617
• Mol file: 69226-20-6.mol

Synonyms:2-methylthiomorpholin-3-one;69226-20-6;2-Methyl-3-thiomorpholinone;2-methyl-thiomorpholin-3-one;3-Thiomorpholinone, 2-methyl-;BRN 0108438;NSC17617;2-methyl-3-thiamorpholinone;4-27-00-02560 (Beilstein Handbook Reference);SCHEMBL17662043;JFQNETYDIXLTTR-UHFFFAOYSA-N;MFCD01680322;NSC 17617;NSC-17617;AKOS006349265;LS-06962;AM20100643;EN300-69033;Z1098219156

Chemical Property of 2-Methylthiomorpholin-3-one

Chemical Property:

• Vapor Pressure: 0.000193mmHg at 25°C
• Melting Point: 78-79 °C
• Boiling Point: 328.1°Cat760mmHg
• PKA: 14.22±0.40(Predicted)
• Flash Point: 152.3°C
• PSA: 54.40000
• Density: 1.107g/cm³
• LogP: 0.56670
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 131.04048508
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

97% ^*data from raw suppliers

2-methylthiomorpholin-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NCCS1

Technology Process of 2-Methylthiomorpholin-3-one

There total 6 articles about 2-Methylthiomorpholin-3-one 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:

methyl 4-chloro-2-diazo-3-oxopentanoate + 2-mercaptoethylamine hydrochloride (156-57-0) → 3-methyl-2-oxo-1,4-thiazane (69226-20-6) + methyl 4-methyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]thiazine-3-carboxylate

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 16h; Reagent/catalyst;

DOI:10.1055/s-0039-1690802

Reference yield:

2-mercaptoethylamine hydrochloride (156-57-0) + Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 3-methyl-2-oxo-1,4-thiazane (69226-20-6)

Guidance literature:

With potassium carbonate; In ethanol; Heating;

DOI:10.1021/jo00067a023

Reference yield:

ethyleneimine (151-56-4,9002-98-6) + Ethyl 2-mercaptopropionate (19788-49-9) → 3-methyl-2-oxo-1,4-thiazane (69226-20-6)

Guidance literature:

DOI:10.1021/jm00338a012

upstream raw materials:

ethyleneimine

Ethyl 2-mercaptopropionate

2-mercaptoethylamine hydrochloride

Ethyl 2-bromopropionate

Downstream raw materials:

methyl-2 thiomorpholine-1,4