2-PHENYLTHIOMORPHOLIN-3-ONE

Base Information

• Chemical Name: 2-PHENYLTHIOMORPHOLIN-3-ONE
• CAS No.: 70156-57-9
• Molecular Formula: C10H11NOS
• Molecular Weight: 193.269
• DSSTox Substance ID: DTXSID30990400
• Mol file: 70156-57-9.mol

Synonyms:2-phenyl-3-thiomorpholinon;IFLAB-BB F0848-0363;2-PHENYLTHIOMORPHOLIN-3-ONE;AKOS BBS-00000248

Chemical Property of 2-PHENYLTHIOMORPHOLIN-3-ONE

Chemical Property:

• Melting Point: 158℃
• Refractive Index: 1.644
• Boiling Point: 432.5 °C at 760 mmHg
• Flash Point: 215.4 °C
• PSA: 54.40000
• Density: 1.188 g/cm³
• LogP: 1.91950
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 207.03539970
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC(=S)C(O1)C2=CC=CC=C2

Technology Process of 2-PHENYLTHIOMORPHOLIN-3-ONE

There total 6 articles about 2-PHENYLTHIOMORPHOLIN-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: 80.0%

2-mercaptoethylamine hydrochloride (156-57-0) + ethyl 2-phenyl-2-bromoacetate (2882-19-1,2216-90-2) → 2-Phenyl-3-oxo-1,4-thiazane (70156-57-9)

Guidance literature:

With potassium carbonate; In ethanol; for 24h; Heating;

DOI:10.1021/jo00041a029

Reference yield: 47.0%

(2-Benzylsulfanyl-ethyl)-carbamic acid ethyl ester (91435-58-4) → 2-Phenyl-3-oxo-1,4-thiazane (70156-57-9)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; for 15h; Ambient temperature;

DOI:10.1248/cpb.32.438

Reference yield:

2-benzylsulfanyl-ethylamine (1007-54-1) → 2-Phenyl-3-oxo-1,4-thiazane (70156-57-9)

Guidance literature:

Multi-step reaction with 2 steps

2: 47 percent / LDA / tetrahydrofuran / 15 h / Ambient temperature

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1248/cpb.32.438

upstream raw materials:

2,2,2-trichloro-1-phenylethanol

Cysteamine

(2-Benzylsulfanyl-ethyl)-carbamic acid ethyl ester

2-mercaptoethylamine hydrochloride

Downstream raw materials:

2-phenylthiomorpholine

N-(Ethoxycarbonyl)-2-phenyl-1,4-thiazane 1-Oxide

N-(Ethoxycarbonyl)-2-phenyl-1,4-thiazane 1-Oxide

2-Phenyl-1,4-thiazane 1-Oxide