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]propan-2-ol

Base Information

• Chemical Name: 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]propan-2-ol
• CAS No.: 1388894-29-8
• Molecular Formula: C₁₈H₂₆N₄OS
• Molecular Weight: 346.497

Synonyms: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]propan-2-ol

Chemical Property of 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]propan-2-ol

Chemical Property:

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Technology Process of 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]propan-2-ol

There total 8 articles about 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]propan-2-ol 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:

tert-butyl N-(4-[[(3R)-3-(2-hydroxypropyl)-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraen-12-yl]amino]cyclohexyl)carbamate (1388894-28-7) → 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]propan-2-ol (1388894-29-8)

Guidance literature:

tert-butyl N-(4-[[(3R)-3-(2-hydroxypropyl)-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-12-yl]amino]cyclohexyl)carbamate; With hydrogenchloride; In dichloromethane; at 0 - 20 ℃;

With water; sodium carbonate; pH=8;

Reference yield:

trans-N-Boc-1,4-cyclohexanediamine (177906-48-8) → 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]propan-2-ol (1388894-29-8)

Guidance literature:

Multi-step reaction with 5 steps

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

1.2: 14 h / 50 °C / Inert atmosphere

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

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

4.1: tetrahydrofuran / 0 °C / Inert atmosphere

4.2: Inert atmosphere

5.1: hydrogenchloride / dichloromethane / 0 - 20 °C

5.2: pH 8

With hydrogenchloride; tetrabutyl ammonium fluoride; Dess-Martin periodane; triethylamine; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (1029689-54-0) → 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]propan-2-ol (1388894-29-8)

Guidance literature:

Multi-step reaction with 10 steps

1.1: 20 - 180 °C / Inert atmosphere

1.2: Cooling with ice

2.1: trichlorophosphate / 20 - 110 °C

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

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

5.1: 1H-imidazole / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

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

6.2: 14 h / 50 °C / Inert atmosphere

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

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

9.1: tetrahydrofuran / 0 °C / Inert atmosphere

9.2: Inert atmosphere

10.1: hydrogenchloride / dichloromethane / 0 - 20 °C

10.2: pH 8

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

upstream raw materials:

trans-N-Boc-1,4-cyclohexanediamine

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-[12-hydroxy-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]acetate

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

Downstream raw materials:

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

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

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