8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid

Base Information

• Chemical Name: 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid
• CAS No.: 225780-91-6
• Molecular Formula: C₄₉H₆₉Cl₃N₈O₁₄
• Molecular Weight: 1100.49

Synonyms:8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid

Chemical Property of 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid

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Technology Process of 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid

There total 7 articles about 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid 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: 31.0%

cyclo2-Boc-N3-Troc-(R)-aminoala-L-Leu-D-β-Me-iso-Asp(OMe)-L-Ala> (225781-03-3) → 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid (225780-91-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 0 ℃; for 0.666667h;

DOI:10.1016/S0968-0896(98)00254-5

Reference yield:

(2R,3S)-2-[Benzyl-(9-phenyl-9H-fluoren-9-yl)-amino]-3-methyl-succinic acid 1-methyl ester (184353-93-3) → 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid (225780-91-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 96 percent / HATU, iPr₂NEt / dimethylformamide / 1.) 0 deg C, 3 h, 2.) room temperature, 12 h

2: 1.) H₂, TFA, 2.) HATU, collidine / 1.) 10 percent Pd/C / 1.) MeOH, 1 atm, 13 h, 2.) 0 deg C, 2 h; room temperature, 16 h

3: 1.) HOAt, DCC, 2.) TFA, 3.) collidine / 1.) DMF, CH₂Cl₂, 0 deg C, 2 h; room temperature, 7 h, 2.) 1.5 h, 3.) DMF, 0 deg C, 4 h; room temperature, 12 h

4: 1.) pentafluorophenol, DCC, 2.) TFA, 3.) phosphate buffer / 1.) EtOAc, 0 deg C, 1.5 h; room temperature, 6.5 h, 2.) 20 min, 3.) pH 9.5, 30 min

5: 31 percent / 1M LiOH / tetrahydrofuran; H₂O / 0.67 h / 0 °C

With 2,3,5-trimethyl-pyridine; lithium hydroxide; 1-hydroxy-7-aza-benzotriazole; phosphate buffer; 2,3,4,5,6-pentafluorophenol; hydrogen; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1016/S0968-0896(98)00254-5

Reference yield:

D-erythro-N-(9-phenylfluoren-9-yl)-N-benzyl-β-Me-iso-Asp(OMe)-L-Ala-OtBu (225780-70-1) → 8-isobutyl-18-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,12,15,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-5-[(2,2,2-trichloro-ethoxycarbonylamino)-methyl]-1,4,7,10,14,17,21heptaaza-cyclopentacosane-11,22-dicarboxylic acid (225780-91-6)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) H₂, TFA, 2.) HATU, collidine / 1.) 10 percent Pd/C / 1.) MeOH, 1 atm, 13 h, 2.) 0 deg C, 2 h; room temperature, 16 h

2: 1.) HOAt, DCC, 2.) TFA, 3.) collidine / 1.) DMF, CH₂Cl₂, 0 deg C, 2 h; room temperature, 7 h, 2.) 1.5 h, 3.) DMF, 0 deg C, 4 h; room temperature, 12 h

3: 1.) pentafluorophenol, DCC, 2.) TFA, 3.) phosphate buffer / 1.) EtOAc, 0 deg C, 1.5 h; room temperature, 6.5 h, 2.) 20 min, 3.) pH 9.5, 30 min

4: 31 percent / 1M LiOH / tetrahydrofuran; H₂O / 0.67 h / 0 °C

With 2,3,5-trimethyl-pyridine; lithium hydroxide; 1-hydroxy-7-aza-benzotriazole; phosphate buffer; 2,3,4,5,6-pentafluorophenol; hydrogen; dicyclohexyl-carbodiimide; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In tetrahydrofuran; water;

DOI:10.1016/S0968-0896(98)00254-5

upstream raw materials:

cyclo2-Boc-N³-Troc-(R)-aminoala-L-Leu-D-β-Me-iso-Asp(OMe)-L-Ala>

(2R,3S)-2-[Benzyl-(9-phenyl-9H-fluoren-9-yl)-amino]-3-methyl-succinic acid 1-methyl ester

D-erythro-N-(9-phenylfluoren-9-yl)-N-benzyl-β-Me-iso-Asp(OMe)-L-Ala-OtBu

Boc-D-iso-Glu(OMe)-MeδAla-N²-Boc-N³-Troc-(R)-aminoala-L-Leu-OH

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