3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid

Base Information

• Chemical Name: 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid
• CAS No.: 596807-19-1
• Molecular Formula: C₆₉H₆₆F₂N₇O₁₆P₃
• Molecular Weight: 1380.24
• Mol file: 596807-19-1.mol

Synonyms:3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid

Chemical Property of 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid

There total 16 articles about 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic 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: 61.0%

C71H70F2N7O16P3 (524940-49-6) → 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid (596807-19-1)

Guidance literature:

With lithium hydroxide; In methanol;

DOI:10.1016/S0960-894X(02)00680-7

Reference yield:

3-methoxy-4-nitrobenzoic acid (5081-36-7) → 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid (596807-19-1)

Guidance literature:

Multi-step reaction with 10 steps

1: 82 percent / H₂O / 100 °C

2: 78 percent / toluene / 80 °C

3: 87 percent / H₂; acetic acid / Pd/C / methanol

4: 63 percent / 150 °C

5: 80 percent / (PhSO₂)2NF / methanol / 70 °C

6: 60 percent / aq. LiOH / methanol / 90 °C

7: 62 percent / PyBop; DIPEA / dimethylformamide / 20 °C

8: 89 percent / TFA / 20 °C

9: 79 percent / PyBop; DIPEA / dimethylformamide / 20 °C

10: 61 percent / aq. LiOH / methanol

With lithium hydroxide; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; acetic acid; N-fluorobis(benzenesulfon)imide; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; water; N,N-dimethyl-formamide; toluene;

DOI:10.1016/S0960-894X(02)00680-7

Reference yield:

3-methylamino-4-nitro-benzoic acid (214778-10-6) → 3-(bis-benzyloxy-phosphoryl)-2-({2-[(6-{2-(bis-benzyloxy-phosphoryl)-1-[2-(bis-benzyloxy-phosphoryl)-1-carboxy-ethylcarbamoyl]-ethylcarbamoyl}-1-methyl-1H-benzoimidazol-2-yl)-difluoro-methyl]-3H-benzoimidazole-5-carbonyl}-amino)-propionic acid (596807-19-1)

Guidance literature:

Multi-step reaction with 9 steps

1: 78 percent / toluene / 80 °C

2: 87 percent / H₂; acetic acid / Pd/C / methanol

3: 63 percent / 150 °C

4: 80 percent / (PhSO₂)2NF / methanol / 70 °C

5: 60 percent / aq. LiOH / methanol / 90 °C

6: 62 percent / PyBop; DIPEA / dimethylformamide / 20 °C

7: 89 percent / TFA / 20 °C

8: 79 percent / PyBop; DIPEA / dimethylformamide / 20 °C

9: 61 percent / aq. LiOH / methanol

With lithium hydroxide; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; hydrogen; acetic acid; N-fluorobis(benzenesulfon)imide; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide; toluene;

DOI:10.1016/S0960-894X(02)00680-7

upstream raw materials:

C₇₁H₇₀F₂N₇O₁₆P₃

3-methoxy-4-nitrobenzoic acid

3-methylamino-4-nitro-benzoic acid

4-amino-3-methylamino-benzoic acid tert-butyl ester