C₄₀H₅₇N₉O₁₂S

Base Information

• Chemical Name: C₄₀H₅₇N₉O₁₂S
• CAS No.: 1204332-56-8
• Molecular Formula: C₄₀H₅₇N₉O₁₂S
• Molecular Weight: 888.012
• Mol file: 1204332-56-8.mol

Synonyms:

Chemical Property of C₄₀H₅₇N₉O₁₂S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₀H₅₇N₉O₁₂S

There total 8 articles about C₄₀H₅₇N₉O₁₂S 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:

C55H69N9O14S (1204332-55-7) → C40H57N9O12S (1204332-56-8)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃;

DOI:10.1002/chem.200902398

Reference yield:

Cbz-Arg(Mtr)-Gly-OMe (934612-57-4) → C40H57N9O12S (1204332-56-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: 20 % Pd(OH)2/C; hydrogen / methanol / 20 °C

2.1: benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

2.2: 0 - 20 °C / Inert atmosphere

3.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

4.1: 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

4.2: 0 - 20 °C / Inert atmosphere

5.1: titanium(IV) isopropylate / tetrahydrofuran / 20 h / 90 °C / Inert atmosphere; Molecular sieve

6.1: palladium on activated charcoal; hydrogen / methanol / 20 °C

With titanium(IV) isopropylate; 1-hydroxy-7-aza-benzotriazole; palladium on activated charcoal; 20 % Pd(OH)2/C; hydrogen; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/chem.200902398

Reference yield:

H2N-L-Arg(Mtr)-Gly-OMe (934612-54-1) → C40H57N9O12S (1204332-56-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C

3.1: 1-hydroxy-7-aza-benzotriazole; N-ethyl-N,N-diisopropylamine; HATU / N,N-dimethyl-formamide / 0.5 h / 0 °C / Inert atmosphere

3.2: 0 - 20 °C / Inert atmosphere

4.1: titanium(IV) isopropylate / tetrahydrofuran / 20 h / 90 °C / Inert atmosphere; Molecular sieve

5.1: palladium on activated charcoal; hydrogen / methanol / 20 °C

With titanium(IV) isopropylate; 1-hydroxy-7-aza-benzotriazole; palladium on activated charcoal; hydrogen; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; HATU; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/chem.200902398

upstream raw materials:

C₅₅H₆₉N₉O₁₄S

Cbz-Arg(Mtr)-Gly-OMe

H₂N-L-Arg(Mtr)-Gly-OMe

C₃₈H₅₄N₈O₁₁S

Downstream raw materials:

C₄₀H₅₅N₉O₁₁S