(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

Base Information

Chemical Name:(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate
CAS No.:1197396-53-4
Molecular Formula:C₂₂H₃₀N₂O₆S
Molecular Weight:450.556
Hs Code.:

Synonyms:(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

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Chemical Property of (1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

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Technology Process of (1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

There total 8 articles about (1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate 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: 100.0%

: (1S,2R,3S,4R,5S)-ethyl 4-(azidocarbonyl)-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

: 1197396-53-4
(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

Guidance literature:: In benzene-d6; at 23 ℃; for 36h;
DOI:10.1002/chem.201001108

Reference yield:

: 106-45-6
para-thiocresol

: 1197396-53-4
(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: triethylamine / ethanol / 12 h / 23 °C / Inert atmosphere

2: trifluoroacetic acid / dichloromethane / 2 h / 23 °C / Inert atmosphere

3: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 0 - 20 °C

4: sodium azide / water; acetone / 0.5 h / 0 °C

5: benzene-d6 / 36 h / 23 °C / NMR tube

With sodium azide; oxalyl dichloride; triethylamine; trifluoroacetic acid; N,N-dimethyl-formamide; In ethanol; dichloromethane; benzene-d6; water; acetone; 5: Curtius Rearrangement;

Reference yield:

: 1141364-91-1
(1S,2R,3S,4R,5S)-4-tert-butyl-1-ethyl-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexane-1,4-dicarboxylate

: 1197396-53-4
(1S,2R,3S,4R,5S)-ethyl 4-isocyanato-5-nitro-3-(pentan-3-yloxy)-2-(p-tolylthio)cyclohexanecarboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: trifluoroacetic acid / dichloromethane / 2 h / 23 °C / Inert atmosphere

2: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 0 - 20 °C

3: sodium azide / water; acetone / 0.5 h / 0 °C

4: benzene-d6 / 36 h / 23 °C / NMR tube

With sodium azide; oxalyl dichloride; trifluoroacetic acid; N,N-dimethyl-formamide; In dichloromethane; benzene-d6; water; acetone; 4: Curtius Rearrangement;