(+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Base Information

Chemical Name:(+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide
CAS No.:119558-28-0
Molecular Formula:C₁₅H₂₃NO₅S
Molecular Weight:329.417
Hs Code.:
DSSTox Substance ID:DTXSID60923004
Mol file:119558-28-0.mol

Synonyms:(+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide;Tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-2H-thiopyran-4-ol N,1,1-trioxide;119558-28-0;2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, N,1,1-trioxide,trans-(+-)-;C15H23NO5S;DTXSID60923004;C15-H23-N-O5-S;LS-153318;4-Hydroxy-3-{1-[hydroxy(methyl)amino]ethyl}-4-(3-methoxyphenyl)-1lambda~6~-thiane-1,1-dione

Suppliers and Price of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Chemical Property:

Vapor Pressure:3.05E-14mmHg at 25°C
Boiling Point:578.9°C at 760 mmHg
Flash Point:303.9°C
Density:1.299g/cm³
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:329.12969401
Heavy Atom Count:22
Complexity:477

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1CS(=O)(=O)CCC1(C2=CC(=CC=C2)OC)O)N(C)O
Isomeric SMILES:CC([C@H]1CS(=O)(=O)CC[C@]1(C2=CC(=CC=C2)OC)O)N(C)O

Technology Process of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

There total 3 articles about (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide 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: 56.0%

: 112775-98-1,119558-18-8,119558-19-9,123323-96-6,123323-98-8
3-((dimethylamino)methyl)-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol

: 119558-28-0
4-(3-methoxyphenyl)-3-(methylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Guidance literature:: With dihydrogen peroxide; In acetic acid; for 144h; Ambient temperature;

Reference yield:

: 1072-72-6
Tetrahydrothiopyran-4-one

: 119558-28-0
4-(3-methoxyphenyl)-3-(methylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Guidance literature:: Multi-step reaction with 3 steps

1: H₂O / 0.17 h / Heating

2: 1)Mg / 1) ether, THF, reflux, 1h; 2) 0 deg C, THF, 1.5 h, room temp.

3: 56 percent / 30percent H₂O₂ / acetic acid / 144 h / Ambient temperature

With dihydrogen peroxide; magnesium; In water; acetic acid;

Reference yield:

: 41533-19-1
3-(N,N-Dimethylaminomethyl)-tetrahydro-4H-thiopyran-4-on

: 119558-28-0
4-(3-methoxyphenyl)-3-(methylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 1)Mg / 1) ether, THF, reflux, 1h; 2) 0 deg C, THF, 1.5 h, room temp.

2: 56 percent / 30percent H₂O₂ / acetic acid / 144 h / Ambient temperature

With dihydrogen peroxide; magnesium; In acetic acid;