Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)-

Base Information

Chemical Name:Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)-
CAS No.:119558-21-3
Molecular Formula:C₁₇H₂₉NO₂S*2I
Molecular Weight:565.298
Hs Code.:

Synonyms:119558-21-3;Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)- (+-)-;C17H29NO2S.2I;C17-H29-N-O2-S.2I;LS-89963

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Chemical Property of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)-

Chemical Property:

Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:565.00085
Heavy Atom Count:23
Complexity:344

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[N+](C)(C)CC1C[S+](CCC1(C2=CC(=CC=C2)OC)O)C.[I-].[I-]
Isomeric SMILES:C[N+](C)(C)C[C@H]1C[S+](CC[C@@]1(C2=CC(=CC=C2)OC)O)C.[I-].[I-]

Technology Process of Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)-

There total 3 articles about Methanaminium, 1-(tetrahydro-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-2H-thiopyranium-3-yl)-N,N,N-trimethyl-, diiodide, (3-alpha,4-beta)-(+-)- 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: 34.0%

: 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

: 74-88-4
methyl iodide

: 119558-21-3
4-(3-methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol dimethiodide

Guidance literature:: In methanol; nitromethane; for 144h;

Reference yield:

: 1072-72-6
Tetrahydrothiopyran-4-one

: 119558-21-3
4-(3-methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol dimethiodide

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: 34 percent / methanol; nitromethane / 144 h

With magnesium; In methanol; nitromethane; water;

Reference yield:

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

: 119558-21-3
4-(3-methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol dimethiodide

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: 34 percent / methanol; nitromethane / 144 h

With magnesium; In methanol; nitromethane;