<3R-<3R,6S,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

Base Information

Chemical Name:<3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester
CAS No.:106975-94-4
Molecular Formula:C₄₁H₆₄N₈O₉
Molecular Weight:813.007
Hs Code.:

<3R-<3R*,6S*,7(S*)>>-N-<N-<N-<<7-<2-<<(1,1-dimethylethoxy)carbonyl>amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

Synonyms:<3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

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Chemical Property of <3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

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Technology Process of <3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

There total 14 articles about <3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine 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: 40.0%

: 109215-25-0
(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-3-(1H-imidazol-4-yl)-propionic acid methyl ester; hydrochloride

: 111437-76-4
(S)-2-{[(3R,6S)-7-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-6-methyl-5-oxo-[1,4,7]oxadiazecan-3-ylmethyl]-amino}-3-methyl-butyric acid

: 106975-94-4
<3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

Guidance literature:: With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; 1.) 0 deg C, 4 h, 2.) room temperature;
DOI:10.1021/jm00397a003

Reference yield:

: 111437-57-1
N-(benzyloxycarbonyl)-O-allyl-L-serinol

: 106975-94-4
<3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

Guidance literature:: Multi-step reaction with 13 steps

1: 91 percent / (iPr)2NEt / CH₂Cl₂ / 1.) 0 deg C, 10 min, 2.) 0 deg C to room temperature

2: 91 percent / 9-BBN / tetrahydrofuran / 1.) 0 deg C to room temperature, 2.) room temperature, 5 h

3: 75 percent / dimethyl sulfoxide, oxalyl chloride / CH₂Cl₂ / 0.5 h

4: 1.) sodium acetate, 2.) sodium cyanoborohydride / 1.) 0 deg C, 30 min, 2.) -20 deg C to room temperature

5: 72 percent / CHCl₃ / 12 h / Ambient temperature

6: 100 percent / aq. LiOH / dioxane / 2 h / Ambient temperature

7: 97 percent / dicyclohexylcarbodiimide / ethyl acetate / 0.5 h / 0 °C

8: 88 percent / H₂, 4-pyrrolidinopyridine / Pd/C / ethanol; dioxane / 4.5 h / 90 °C

9: 1.) conc. HCl, 2.) Et₃N / 1.) methanol, 60 deg C, 3.5 h, 2.) CHCl₃, room temperature

10: 86 percent / DMSO, oxalyl chloride / CH₂Cl₂ / 0.17 h

11: 2.) NaOAc, NaCNBH₃ / 1.) 2-propanol, 2.) 0 deg C, 2 h, room temperature

12: 73 mg / H₂ / Pd/C / methanol / 0.5 h

13: 40 percent / Et₃N, HOBt, DCC / dimethylformamide / 1.) 0 deg C, 4 h, 2.) room temperature

With hydrogenchloride; lithium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; oxalyl dichloride; hydrogen; sodium acetate; sodium cyanoborohydride; benzotriazol-1-ol; 4-pyrrolidin-1-ylpyridine; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm00397a003

Reference yield:

: 111437-56-0
N-(benzyloxycarbonyl)-O-allyl-L-serine methyl ester

: 106975-94-4
<3R-<3R*,6S*,7(S*)>>-N-amino>-1-oxo-3-phenylpropyl>octahydro-6-methyl-5-oxo-2H-1,4,7-oxadiazecin-3-yl>methyl>-L-valyl>-L-isoleucyl>-L-histidine methyl ester

Guidance literature:: Multi-step reaction with 14 steps

1: 82 percent / DIBAH / tetrahydrofuran; hexane / 0.33 h / 0 °C

2: 91 percent / (iPr)2NEt / CH₂Cl₂ / 1.) 0 deg C, 10 min, 2.) 0 deg C to room temperature

3: 91 percent / 9-BBN / tetrahydrofuran / 1.) 0 deg C to room temperature, 2.) room temperature, 5 h

4: 75 percent / dimethyl sulfoxide, oxalyl chloride / CH₂Cl₂ / 0.5 h

5: 1.) sodium acetate, 2.) sodium cyanoborohydride / 1.) 0 deg C, 30 min, 2.) -20 deg C to room temperature

6: 72 percent / CHCl₃ / 12 h / Ambient temperature

7: 100 percent / aq. LiOH / dioxane / 2 h / Ambient temperature

8: 97 percent / dicyclohexylcarbodiimide / ethyl acetate / 0.5 h / 0 °C

9: 88 percent / H₂, 4-pyrrolidinopyridine / Pd/C / ethanol; dioxane / 4.5 h / 90 °C

10: 1.) conc. HCl, 2.) Et₃N / 1.) methanol, 60 deg C, 3.5 h, 2.) CHCl₃, room temperature

11: 86 percent / DMSO, oxalyl chloride / CH₂Cl₂ / 0.17 h

12: 2.) NaOAc, NaCNBH₃ / 1.) 2-propanol, 2.) 0 deg C, 2 h, room temperature

13: 73 mg / H₂ / Pd/C / methanol / 0.5 h

14: 40 percent / Et₃N, HOBt, DCC / dimethylformamide / 1.) 0 deg C, 4 h, 2.) room temperature

With hydrogenchloride; lithium hydroxide; 9-borabicyclo[3.3.1]nonane dimer; oxalyl dichloride; hydrogen; sodium acetate; diisobutylaluminium hydride; sodium cyanoborohydride; benzotriazol-1-ol; 4-pyrrolidin-1-ylpyridine; dimethyl sulfoxide; triethylamine; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; hexane; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm00397a003