C₆₁H₁₀₆I₂N₁₀O₁₃S

Base Information

• Chemical Name: C₆₁H₁₀₆I₂N₁₀O₁₃S
• CAS No.: 239115-69-6
• Molecular Formula: C₆₁H₁₀₆I₂N₁₀O₁₃S
• Molecular Weight: 1473.45
• Mol file: 239115-69-6.mol

Synonyms:C₆₁H₁₀₆I₂N₁₀O₁₃S

Chemical Property of C₆₁H₁₀₆I₂N₁₀O₁₃S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₆₁H₁₀₆I₂N₁₀O₁₃S

There total 18 articles about C₆₁H₁₀₆I₂N₁₀O₁₃S 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: 92.0%

N,N'-di-t-butyloxycarbonyl-(S)-lysine N-hydroxysuccinimide ester (30189-36-7) + 10-[2-(2-{2-[5-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-decanoic acid [(S)-1-{3-[4-(3-amino-propylamino)-butylamino]-propylcarbamoyl}-2-(4-hydroxy-3,5-diiodo-phenyl)-ethyl]-amide (239115-68-5) → C61H106I2N10O13S (239115-69-6)

Guidance literature:

In N,N-dimethyl-formamide; for 2h;

DOI:10.1016/S0968-0896(99)00054-1

Reference yield:

2-[2-(2-azidoethoxy)ethoxy]ethanol (86520-52-7) → C61H106I2N10O13S (239115-69-6)

Guidance literature:

Multi-step reaction with 12 steps

1: 88 percent / Bu₄NBr, aq. NaOH / 5 h / 60 °C

2: 98 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / CH₂Cl₂; H₂O / 1 h

3: 79 percent / Dess-Martin reagent / CH₂Cl₂ / 1 h

4: 91 percent / NaClO₂, NaH₂PO₄, 2-methyl-2-butene / tetrahydrofuran; 2-methyl-propan-2-ol; H₂O / 0.5 h

5: 94 percent / 1-hydroxybenzotriazole, Et₃N, 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 18 h

6: H₂ / Pd(OH)2/C / methanol / 1 h

7: CH₂Cl₂ / 12 h

8: 97 percent / I₂, NaHCO₃ / methanol; H₂O / 0.5 h

9: 1.) C₆H₅SH, CF₃COOH / 1.) 1 h, 2.) CH₂Cl₂, 6 h

10: 73 percent / aq. NaOH / methanol / 3 h

11: 1.) p-nitrophenol, dicyclohexylcarbodiimide / 1.) THF, 2.) THF

12: 92 percent / dimethylformamide / 2 h

With sodium hydroxide; sodium chlorite; sodium dihydrogenphosphate; 4-nitro-phenol; 2-methyl-but-2-ene; tetrabutylammomium bromide; hydrogen; iodine; sodium hydrogencarbonate; benzotriazol-1-ol; Dess-Martin periodane; thiophenol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium dihydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1016/S0968-0896(99)00054-1

Reference yield:

2-<2-(2-hydroxyethoxy)ethoxy>ethyl acetate (52337-72-1) → C61H106I2N10O13S (239115-69-6)

Guidance literature:

Multi-step reaction with 14 steps

1: 97 percent / Et₃N / CH₂Cl₂ / 2 h / -78 °C

2: 1.) NaN₃, 2.) aq. NH₄OH / 1.) EtOH, H₂O, 80 deg C, 3 h, 2.) CH₃OH, 12 h

3: 88 percent / Bu₄NBr, aq. NaOH / 5 h / 60 °C

4: 98 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / CH₂Cl₂; H₂O / 1 h

5: 79 percent / Dess-Martin reagent / CH₂Cl₂ / 1 h

6: 91 percent / NaClO₂, NaH₂PO₄, 2-methyl-2-butene / tetrahydrofuran; 2-methyl-propan-2-ol; H₂O / 0.5 h

7: 94 percent / 1-hydroxybenzotriazole, Et₃N, 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / CH₂Cl₂ / 18 h

8: H₂ / Pd(OH)2/C / methanol / 1 h

9: CH₂Cl₂ / 12 h

10: 97 percent / I₂, NaHCO₃ / methanol; H₂O / 0.5 h

11: 1.) C₆H₅SH, CF₃COOH / 1.) 1 h, 2.) CH₂Cl₂, 6 h

12: 73 percent / aq. NaOH / methanol / 3 h

13: 1.) p-nitrophenol, dicyclohexylcarbodiimide / 1.) THF, 2.) THF

14: 92 percent / dimethylformamide / 2 h

With ammonium hydroxide; sodium hydroxide; sodium chlorite; sodium dihydrogenphosphate; sodium azide; 4-nitro-phenol; 2-methyl-but-2-ene; tetrabutylammomium bromide; hydrogen; iodine; sodium hydrogencarbonate; benzotriazol-1-ol; Dess-Martin periodane; thiophenol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium dihydroxide; In tetrahydrofuran; methanol; dichloromethane; water; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1016/S0968-0896(99)00054-1

upstream raw materials:

N,N'-di-t-butyloxycarbonyl-(S)-lysine N-hydroxysuccinimide ester

10-[2-(2-{2-[5-((3aR,6S,6aS)-2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethoxy]-decanoic acid [(S)-1-{3-[4-(3-amino-propylamino)-butylamino]-propylcarbamoyl}-2-(4-hydroxy-3,5-diiodo-phenyl)-ethyl]-amide

Spermine

L-Tyr-OMe

Refernces