(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

Base Information

Chemical Name:(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester
CAS No.:223923-94-2
Molecular Formula:C₄₁H₆₁N₅O₁₀
Molecular Weight:783.963
Hs Code.:

(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

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Chemical Property of (2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

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Technology Process of (2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

There total 10 articles about (2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl 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:

: 134440-96-3
(2S,3R)-N-tert-butoxycarbonyl-2-methyl-3-amino-4-hydroxy methyl butanoate

: 223923-94-2
(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 9 steps

1: 123 mg / oxalyl chloride / CH₂Cl₂ / 1 h / -78 °C

2: 1.) n-BuLi / 1.) THF, -78 deg C (15 min), 0 deg C (30 min), 2.) THF, -> room temp., 20 h

3: 98 percent / aq. LiOH / tetrahydrofuran / 68 h / Ambient temperature

4: 88 percent / DCC, DMAP / CH₂Cl₂ / 2 h / Ambient temperature

5: 81 percent Turnov_. / DMAP, diisopropylethylamine / acetonitrile / 90 h / Ambient temperature

6: 82 percent / dimedone, Pd(PPh₃)4 / tetrahydrofuran / 21 h / Ambient temperature

7: 80 percent / DCC, DMAP / ethyl acetate / Ambient temperature

8: CH₂Cl₂ / 1 h / Ambient temperature

9: DMAP, DIPEA / acetonitrile / 168 h / Ambient temperature

With dmap; lithium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; oxalyl dichloride; dimedone; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1021/jo982145i

Reference yield:

: 134440-97-4
(2R,3S)-2-(tert-butoxycarbonyl)amino-3-methoxycarbonyl-3-methylbutanal

: 223923-94-2
(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) n-BuLi / 1.) THF, -78 deg C (15 min), 0 deg C (30 min), 2.) THF, -> room temp., 20 h

2: 98 percent / aq. LiOH / tetrahydrofuran / 68 h / Ambient temperature

3: 88 percent / DCC, DMAP / CH₂Cl₂ / 2 h / Ambient temperature

4: 81 percent Turnov_. / DMAP, diisopropylethylamine / acetonitrile / 90 h / Ambient temperature

5: 82 percent / dimedone, Pd(PPh₃)4 / tetrahydrofuran / 21 h / Ambient temperature

6: 80 percent / DCC, DMAP / ethyl acetate / Ambient temperature

7: CH₂Cl₂ / 1 h / Ambient temperature

8: DMAP, DIPEA / acetonitrile / 168 h / Ambient temperature

With dmap; lithium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; dimedone; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1021/jo982145i

Reference yield:

: 223923-45-3
methyl (2S,3R)-3-(N-Boc-amino)-4-(tert-butyldimethylsilyloxy)-2-methyl-butanoate

: 223923-94-2
(2S,5R,6S,9R,12S,13S,16R)-9-Isopropyl-12-((1E,3E)-(5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,2,6,13-tetramethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaaza-cyclononadecane-5,16-dicarboxylic acid dimethyl ester

Guidance literature:: Multi-step reaction with 10 steps

1: 84 percent / NBS / dimethylsulfoxide / 2 h / 10 °C

2: 123 mg / oxalyl chloride / CH₂Cl₂ / 1 h / -78 °C

3: 1.) n-BuLi / 1.) THF, -78 deg C (15 min), 0 deg C (30 min), 2.) THF, -> room temp., 20 h

4: 98 percent / aq. LiOH / tetrahydrofuran / 68 h / Ambient temperature

5: 88 percent / DCC, DMAP / CH₂Cl₂ / 2 h / Ambient temperature

6: 81 percent Turnov_. / DMAP, diisopropylethylamine / acetonitrile / 90 h / Ambient temperature

7: 82 percent / dimedone, Pd(PPh₃)4 / tetrahydrofuran / 21 h / Ambient temperature

8: 80 percent / DCC, DMAP / ethyl acetate / Ambient temperature

9: CH₂Cl₂ / 1 h / Ambient temperature

10: DMAP, DIPEA / acetonitrile / 168 h / Ambient temperature

With dmap; lithium hydroxide; N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; oxalyl dichloride; dimedone; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane; dimethyl sulfoxide; ethyl acetate; acetonitrile;
DOI:10.1021/jo982145i