hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

Base Information

Chemical Name:hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide
CAS No.:500145-57-3
Molecular Formula:C₄₈H₆₇N₇O₁₁S
Molecular Weight:950.166
Hs Code.:

hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

Synonyms:hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

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Chemical Property of hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

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Technology Process of hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

There total 3 articles about hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide 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: 50.0%

: 500145-55-1
C₆₄H₈₇N₇O₁₁SSi

: somamide A

: 500145-57-3
hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

Guidance literature:: C₆₄H₈₇N₇O₁₁SSi; With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide;

With tetrabutyl ammonium fluoride; In tetrahydrofuran;
DOI:10.1016/S0040-4039(02)02178-0

Reference yield:

: 1053641-89-6
C₇₀H₁₀₃N₇O₁₂SSi₂

: 500145-57-3
hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

Guidance literature:: Multi-step reaction with 3 steps

1.1: pentafluorophenyl diphenylphosphinate (FDPP); i-Pr₂NEt / CH₂Cl₂

2.1: 89 percent / CF₃CO₂H / H₂O; tetrahydrofuran

3.1: 1-hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (IBX) / dimethylsulfoxide

3.2: 39 percent / TBAF / tetrahydrofuran

With pentafluorophenyl diphenyl-phosphinate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; dichloromethane; water; dimethyl sulfoxide;
DOI:10.1016/S0040-4039(02)02178-0

Reference yield:

: 500145-53-9
C₇₀H₁₀₁N₇O₁₁SSi₂

: 500145-57-3
hexanoic acid {1-[2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxy-benzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaaza-bicyclo[16.3.1]docos-12-ylcarbamoyl]-3-methylsulfanyl-propyl}-amide

Guidance literature:: Multi-step reaction with 2 steps

1.1: 89 percent / CF₃CO₂H / H₂O; tetrahydrofuran

2.1: 1-hydroxy-1,2-benziodoxol-3(1H)-one 1-oxide (IBX) / dimethylsulfoxide

2.2: 39 percent / TBAF / tetrahydrofuran

With trifluoroacetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; water; dimethyl sulfoxide;
DOI:10.1016/S0040-4039(02)02178-0