3-Phenylthiomorpholine

Base Information

• Chemical Name: 3-Phenylthiomorpholine
• CAS No.: 141849-62-9
• Molecular Formula: C10H13NS
• Molecular Weight: 179.286
• Hs Code.: 2934999090
• European Community (EC) Number: 852-903-1
• DSSTox Substance ID: DTXSID30405549
• Nikkaji Number: J3.207.858C
• Mol file: 141849-62-9.mol

Synonyms:3-Phenylthiomorpholine;141849-62-9;3-phenyl thiomorpholine;SCHEMBL2331878;DTXSID30405549;3-phenylthiomorpholine, AldrichCPR;AMY14811;MFCD03002059;AKOS006227797;FS-3031;CS-0006430;FT-0643331;EN300-78974;A807817;Z1201621925

Chemical Property of 3-Phenylthiomorpholine

Chemical Property:

• Vapor Pressure: 0.000841mmHg at 25°C
• Boiling Point: 305.1 °C at 760 mmHg
• Flash Point: 138.3 °C
• PSA: 37.33000
• Density: 1.079 g/cm³
• LogP: 2.39290
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.07687059
• Heavy Atom Count: 12
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

3-Phenylthiomorpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCC(N1)C2=CC=CC=C2

Technology Process of 3-Phenylthiomorpholine

There total 15 articles about 3-Phenylthiomorpholine 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: 83.0%

C13H21NSSi → 3-phenylthiomorpholine (141849-62-9)

Guidance literature:

With trimethylsilyl trifluoromethanesulfonate; 2,4,6-triphenylpyrylium tetrafluoroborate; In acetonitrile; at 20 ℃; Irradiation; Flow reactor; Inert atmosphere;

DOI:10.1021/acs.orglett.7b02395

Reference yield: 69.0%

C22H39NSSn → 3-phenylthiomorpholine (141849-62-9)

Guidance literature:

With 2,6-dimethylpyridine; calcium sulfate; copper(II) bis(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.201208064

Reference yield: 52.0%

2-mercaptoethylamine hydrochloride (156-57-0) + α-bromoacetophenone (70-11-1) → 3-phenylthiomorpholine (141849-62-9)

Guidance literature:

2-mercaptoethylamine hydrochloride; α-bromoacetophenone; With potassium hydroxide; In methanol; for 1h; cooling;

With hydrogenchloride; In methanol; at 0 ℃; for 1h;

With sodium tetrahydroborate; In methanol; for 0.5h;

DOI:10.1016/j.bmc.2006.04.030

upstream raw materials:

3-Oxo-5-phenyl-1,4-thiazane

2-mercaptoethylamine hydrochloride

α-bromoacetophenone

methyl N-1-phenyl-2-iodoethylcarbamate

Downstream raw materials:

N-(Ethoxycarbonyl)-3-phenyl-1,4-thiazane

C₁₈H₁₈ClNOS

1,1,2-triphenylethane

N-(Ethoxycarbonyl)-3-phenyl-1,4-thiazane 1-Oxide