2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide

Base Information

• Chemical Name: 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide
• CAS No.: 1388893-99-9
• Molecular Formula: C₂₄H₂₈FN₅O₂S
• Molecular Weight: 469.583

Synonyms:2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide

Chemical Property of 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide

Chemical Property:

Purity/Quality:

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Technology Process of 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide

There total 8 articles about 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide 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) + N-(5-fluoropyridin-2-yl)-2-[(3S)-12-[[4-(methylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1(8),2(6),9,11-tetraen-3-yl]acetamide hydrochloride → 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide (1388893-99-9)

Guidance literature:

formaldehyd; N-(5-fluoropyridin-2-yl)-2-[(3S)-12-[[4-(methylamino)cyclohexyl]oxy]-7-thia-9,11-diazatricyclo[6.4.0.0[2.6]]dodeca-1⁽⁸⁾,2⁽⁶⁾,9,11-tetraen-3-yl]acetamide hydrochloride; In methanol; at 20 ℃; for 0.5h;

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

Reference yield:

ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (1029689-54-0) → 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide (1388893-99-9)

Guidance literature:

Multi-step reaction with 11 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: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere

6.2: 2 h / 60 °C / Inert atmosphere

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

8.1: dipyridinium dichromate / N,N-dimethyl-formamide / 15 h / 20 °C

9.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

10.1: hydrogenchloride; water / dichloromethane / 0 - 20 °C / Inert atmosphere

11.1: methanol / 0.5 h / 20 °C

11.2: 2 h / 20 °C

With 1H-imidazole; hydrogenchloride; dipyridinium dichromate; tetrabutyl ammonium fluoride; water; sodium hydride; diisobutylaluminium hydride; N-ethyl-N,N-diisopropylamine; HATU; trichlorophosphate; In tetrahydrofuran; methanol; hexane; dichloromethane; carbon dioxide; N,N-dimethyl-formamide; mineral oil;

Reference yield:

tert-butyl ((1r,4r)-4-hydroxycyclohexyl)(methyl)carbamate (400899-99-2) → 2-[(3S)-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]-N-(5-fluoropyridin-2-yl)acetamide (1388893-99-9)

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 1 h / 0 °C / Inert atmosphere

1.2: 2 h / 60 °C / Inert atmosphere

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

3.1: dipyridinium dichromate / N,N-dimethyl-formamide / 15 h / 20 °C

4.1: N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere

5.1: hydrogenchloride; water / dichloromethane / 0 - 20 °C / Inert atmosphere

6.1: methanol / 0.5 h / 20 °C

6.2: 2 h / 20 °C

With hydrogenchloride; dipyridinium dichromate; tetrabutyl ammonium fluoride; water; sodium hydride; N-ethyl-N,N-diisopropylamine; HATU; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

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

tert-butyl ((1r,4r)-4-hydroxycyclohexyl)(methyl)carbamate

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

2-(1-chloro-7,8-dihydro-6H-cyclopenta[3,4]thieno[1,3-d]pyrimidin-8-yl)ethanol

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