(9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester

Base Information

• Chemical Name: (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester
• CAS No.: 884302-84-5
• Molecular Formula: C₄₂H₄₃F₃N₄O₉
• Molecular Weight: 804.82

Synonyms:(9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester

Chemical Property of (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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Technology Process of (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester

There total 3 articles about (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester 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: 52.0%

(S)-2-{(S)-3-(4-benzyloxyphenyl)-2-[(S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionylamino]propionylamino}-3-[3-bromo-4-(2,2,2-trifluoroacetylamino)phenyl]propionic acid methyl ester (884302-83-4) → (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carboxylic acid methyl ester (884302-84-5)

Guidance literature:

With copper(l) iodide; N,N-dimethylglycine hydrochoride; caesium carbonate; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1002/anie.200503538

Reference yield:

(S)-3-(4-Benzyloxy-phenyl)-2-[(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionic acid methyl ester → (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carboxylic acid methyl ester (884302-84-5)

Guidance literature:

Multi-step reaction with 3 steps

1: LiOH / tetrahydrofuran; methanol; H₂O / 0.5 h / 0 °C

2: 358 mg / HATU; DIPEA / dimethylformamide / 14 h / 0 - 20 °C

3: 52 percent / CuI; N,N-dimethylglycine hydrochloride; Cs₂CO₃ / dioxane / 24 h / 20 °C

With lithium hydroxide; copper(l) iodide; N,N-dimethylglycine hydrochoride; caesium carbonate; 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 tetrahydrofuran; 1,4-dioxane; methanol; water; N,N-dimethyl-formamide;

DOI:10.1002/anie.200503538

Reference yield:

(S)-3-(4-Benzyloxy-phenyl)-2-[(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionic acid (1027955-92-5) → (9S,12S,15S)-12-(4-benzyloxybenzyl)-15-(tert-butoxycarbonylamino)-11,14-dioxo-4-(2,2,2-trifluoroacetylamino)-2-oxa-10,13-diaza-tricyclo[15.2.2.13,7]docosa-1(20),3(22),4,6,17(21),18-hexaene-9-carboxylic acid methyl ester (884302-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 358 mg / HATU; DIPEA / dimethylformamide / 14 h / 0 - 20 °C

2: 52 percent / CuI; N,N-dimethylglycine hydrochloride; Cs₂CO₃ / dioxane / 24 h / 20 °C

With copper(l) iodide; N,N-dimethylglycine hydrochoride; caesium carbonate; 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 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/anie.200503538

upstream raw materials:

(S)-2-{(S)-3-(4-benzyloxyphenyl)-2-[(S)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propionylamino]propionylamino}-3-[3-bromo-4-(2,2,2-trifluoroacetylamino)phenyl]propionic acid methyl ester

(S)-3-(4-Benzyloxy-phenyl)-2-[(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionic acid

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