(9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.1^2,5]henicosa-1⁽¹⁹⁾,2⁽²¹⁾,3,17⁽²⁰⁾-tetraene-7,10,14-trione

Base Information

• Chemical Name: (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.1^2,5]henicosa-1⁽¹⁹⁾,2⁽²¹⁾,3,17⁽²⁰⁾-tetraene-7,10,14-trione
• CAS No.: 1415580-98-1
• Molecular Formula: C₃₈H₃₉N₇O₄S₂
• Molecular Weight: 721.904

Synonyms:

Chemical Property of (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.1^2,5]henicosa-1⁽¹⁹⁾,2⁽²¹⁾,3,17⁽²⁰⁾-tetraene-7,10,14-trione

Chemical Property:

Purity/Quality:

Safty Information:

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Useful:

Technology Process of (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.1^2,5]henicosa-1⁽¹⁹⁾,2⁽²¹⁾,3,17⁽²⁰⁾-tetraene-7,10,14-trione

There total 13 articles about (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.1^2,5]henicosa-1⁽¹⁹⁾,2⁽²¹⁾,3,17⁽²⁰⁾-tetraene-7,10,14-trione 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:

C38H41N7O5S2 → (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.12,5]henicosa-1(19),2(21),3,17(20)-tetraene-7,10,14-trione (1415580-98-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ml300371t

Reference yield:

2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylic acid (71904-80-8) → (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.12,5]henicosa-1(19),2(21),3,17(20)-tetraene-7,10,14-trione (1415580-98-1)

Guidance literature:

Multi-step reaction with 9 steps

1: ammonia / tetrahydrofuran; water / Inert atmosphere

2: trifluoroacetic anhydride; triethylamine / dichloromethane / Inert atmosphere

3: sodium azide; zinc dibromide / water; tert-butyl alcohol / 1 h / 90 °C / Inert atmosphere

4: triethylamine / acetonitrile / 12 h / Inert atmosphere

5: lithium hydroxide / water; methanol / 1 h / Inert atmosphere

6: N-ethyl-N,N-diisopropylamine / 12 h / 20 °C / Inert atmosphere

7: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / Inert atmosphere

8: trifluoroacetic acid / dichloromethane / 1 h / 0 °C / Inert atmosphere

9: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / dichloromethane / 24 h / 20 °C / Inert atmosphere

With sodium azide; tetrabutyl ammonium fluoride; ammonia; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; trifluoroacetic anhydride; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; zinc dibromide; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile; tert-butyl alcohol;

DOI:10.1021/ml300371t

Reference yield:

tert-butyl ((4-(2H-tetrazol-5-yl)thiazol-2-yl)methyl)carbamate (1415580-91-4) → (9S,12S)-9-isopropyl-12-((E)-4-(tritylthio)but-1-en-1-yl)-11-oxa-18-thia-3,4,5,8,15,20,21-heptaazatricyclo[15.2.1.12,5]henicosa-1(19),2(21),3,17(20)-tetraene-7,10,14-trione (1415580-98-1)

Guidance literature:

Multi-step reaction with 6 steps

1: triethylamine / acetonitrile / 12 h / Inert atmosphere

2: lithium hydroxide / water; methanol / 1 h / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine / 12 h / 20 °C / Inert atmosphere

4: tetrabutyl ammonium fluoride / tetrahydrofuran / 2 h / Inert atmosphere

5: trifluoroacetic acid / dichloromethane / 1 h / 0 °C / Inert atmosphere

6: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / dichloromethane / 24 h / 20 °C / Inert atmosphere

With tetrabutyl ammonium fluoride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;

DOI:10.1021/ml300371t

upstream raw materials:

2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylic acid

2-(tert-butoxycarbonylaminomethyl)-1,3-thiazole-4-carboxamide

2-[N-(tert-butoxycarbonyl)aminomethyl]thiazole-4-carbonitrile

tert-butyl ((4-(2H-tetrazol-5-yl)thiazol-2-yl)methyl)carbamate

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