N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

Base Information

Chemical Name:N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide
CAS No.:142708-10-9
Molecular Formula:C₄₃H₇₀N₆O₇S
Molecular Weight:815.131
Hs Code.:

N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

Synonyms:N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

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Chemical Property of N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

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Technology Process of N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

There total 6 articles about N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide 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: 85.0%

: 10191-60-3
dimethyl N-cyanodithioiminocarbonate

: 142707-90-2
A-78030

: 142708-10-9
N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

Guidance literature:: In acetonitrile; for 48h; Heating;
DOI:10.1021/jm00045a003

Reference yield:

: 129921-93-3
2-(S)-((3-(tert-butyloxycarbonyl)-2,2-dimethyl-4(S)-(cyclohexylmethyl)-5(S)-oxazolidinyl)methyl)-3-methylbutanoic acid

: 142708-10-9
N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) HOBt hydrate, 4-methylmorpholine, 2.) EDC / 1.) DMF, -20 deg C, 2.)a) DMF, -20 deg C, 4 h, b) RT, 16 h

2: trifluoroacetic acid / CH₂Cl₂ / 4 h / 0 °C

3: H₂O / tetrahydrofuran / 18 h / 0 °C

4: HOBt hydrate, 4-methylmorpholine, EDC / dimethylformamide / 1.) -23 deg C, 4 h, 2.) RT, 18 h

5: 63 percent / hydrogen / 10percent Pd/C / ethyl acetate / 72 h / 760 Torr

6: 85 percent / acetonitrile / 48 h / Heating

With 4-methyl-morpholine; water; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00045a003

Reference yield:

: 142688-54-8
N-(3-((benzyloxycarbonyl)amino)propyl)-(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

: 142708-10-9
N-[3-(S-methyl-N'-cyanoisothioureido)propyl]-(2S,4S,5S,1'S,2'S)-5-[2-(1-{[4-(methoxymethoxy)piperidin-1-yl]carbonyl}-2-phenylethoxy)hexanamido]-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide

Guidance literature:: Multi-step reaction with 3 steps

1: HOBt hydrate, 4-methylmorpholine, EDC / dimethylformamide / 1.) -23 deg C, 4 h, 2.) RT, 18 h

2: 63 percent / hydrogen / 10percent Pd/C / ethyl acetate / 72 h / 760 Torr

3: 85 percent / acetonitrile / 48 h / Heating

With 4-methyl-morpholine; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; palladium on activated charcoal; In ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00045a003