(2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate

Base Information

• Chemical Name: (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate
• CAS No.: 1388894-21-0
• Molecular Formula: CH₂O₂*C₂₁H₃₂N₄OS
• Molecular Weight: 434.603

Synonyms:(2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate

Chemical Property of (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate

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Technology Process of (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate

There total 13 articles about (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol formate 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:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-[(3R)-12-[(4-aminocyclohexyl)amino]-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol (1388894-23-2) → (2R)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-19-6) + (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-21-0)

Guidance literature:

formaldehyd; 1-[(3R)-12-[(4-aminocyclohexyl)amino]-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol; In methanol; at 20 ℃; for 1h;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 2h;

With formic acid; In water; acetonitrile;

Reference yield:

ethyl 2-[12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate (1388893-77-3) → (2R)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-19-6) + (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-21-0)

Guidance literature:

Multi-step reaction with 9 steps

1.1: diisobutylaluminium hydride / hexane; tetrahydrofuran / -30 °C / Inert atmosphere

2.1: CHIRALPAK IA / carbon dioxide; methanol / Resolution of racemate

3.1: 1H-imidazole / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

4.1: triethylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

4.2: 14 h / 50 °C / Inert atmosphere

5.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C

6.1: Dess-Martin periodane / dichloromethane / 0 - 20 °C

7.1: tetrahydrofuran / 0 °C / Inert atmosphere

8.1: hydrogenchloride / dichloromethane / 0 - 20 °C

8.2: pH 8

9.1: methanol / 1 h / 20 °C

9.2: 2 h / 20 °C

With 1H-imidazole; hydrogenchloride; tetrabutyl ammonium fluoride; diisobutylaluminium hydride; Dess-Martin periodane; triethylamine; In tetrahydrofuran; methanol; hexane; dichloromethane; carbon dioxide; N,N-dimethyl-formamide;

Reference yield:

2-(1-chloro-7,8-dihydro-6H-cyclopenta[3,4]thieno[1,3-d]pyrimidin-8-yl)ethanol (1388893-92-2) → (2R)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-19-6) + (2S)-1-[(3R)-12-[[4-(dimethylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-3-yl]butan-2-ol formate (1388894-21-0)

Guidance literature:

Multi-step reaction with 8 steps

1.1: CHIRALPAK IA / carbon dioxide; methanol / Resolution of racemate

2.1: 1H-imidazole / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

3.1: triethylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

3.2: 14 h / 50 °C / Inert atmosphere

4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / 20 °C

5.1: Dess-Martin periodane / dichloromethane / 0 - 20 °C

6.1: tetrahydrofuran / 0 °C / Inert atmosphere

7.1: hydrogenchloride / dichloromethane / 0 - 20 °C

7.2: pH 8

8.1: methanol / 1 h / 20 °C

8.2: 2 h / 20 °C

With 1H-imidazole; hydrogenchloride; tetrabutyl ammonium fluoride; Dess-Martin periodane; triethylamine; In tetrahydrofuran; methanol; dichloromethane; carbon dioxide; N,N-dimethyl-formamide;

upstream raw materials:

formaldehyd

1-[(3R)-12-[(4-aminocyclohexyl)amino]-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]butan-2-ol

trans-N-Boc-1,4-cyclohexanediamine

ethyl (2-oxocyclopentyl)acetate

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