1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene

Base Information

• Chemical Name: 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene
• CAS No.: 111268-59-8
• Molecular Formula: C₁₈H₂₂S
• Molecular Weight: 275.399

Synonyms:1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene

Chemical Property of 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene

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Technology Process of 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene

There total 4 articles about 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene 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:

benzoyl chloride (98-88-4) → 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene (111268-59-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87.1 percent / n-BuLi / hexane; diethyl ether

2: tetrahydrofuran / 4 h / Ambient temperature

With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1021/ja00258a041

Reference yield:

pentadeuterio-β-cyclocitral (78995-98-9) → 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene (111268-59-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 80.2 percent / n-BuLi / hexane; tetrahydrofuran / -78 °C

2: 87.1 percent / n-BuLi / hexane; diethyl ether

3: tetrahydrofuran / 4 h / Ambient temperature

With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1021/ja00258a041

Reference yield:

1-<2'-(trideuteriomethyl)-6',6'-dimethyl-3',3'-dideuterio-1'-cyclohexen-1'-yl>-2-propyn-1-ol (111268-57-6) → 1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-3-(phenylthio)-1,2-propadiene (111268-59-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 87.1 percent / n-BuLi / hexane; diethyl ether

2: tetrahydrofuran / 4 h / Ambient temperature

With n-butyllithium; In tetrahydrofuran; diethyl ether; hexane;

DOI:10.1021/ja00258a041

upstream raw materials:

1-<6',6'-dimethyl-2'-(trideuteriomethyl)-3',3'-dideuterio-1'-cyclohexen-1'-yl>-2-propyn-1-yl benzoate

benzoyl chloride

pentadeuterio-β-cyclocitral

1-<2'-(trideuteriomethyl)-6',6'-dimethyl-3',3'-dideuterio-1'-cyclohexen-1'-yl>-2-propyn-1-ol

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