N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid

Base Information

• Chemical Name: N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid
• CAS No.: 505077-11-2
• Molecular Formula: C₃₉H₅₁N₇O₁₁S
• Molecular Weight: 825.94
• Mol file: 505077-11-2.mol

Synonyms:N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid

Chemical Property of N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid

There total 4 articles about N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic 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:

3,6-dioxa-1,8-diaminooctane (929-59-9,892154-56-2) → N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid (505077-11-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 50 percent / DIEA / CH₂Cl₂ / 2 h / 20 °C

2: 100 percent / HBTU; DIEA / dimethylformamide / 1 h / 20 °C

3: TFA; anisole / 1 h / 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; methoxybenzene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ja026917a

Reference yield:

tert-butyl {2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate (153086-78-3) → N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid (505077-11-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / HBTU; DIEA / dimethylformamide / 1 h / 20 °C

2: TFA; anisole / 1 h / 20 °C

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; methoxybenzene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In N,N-dimethyl-formamide;

DOI:10.1021/ja026917a

Reference yield:

tert-butyl-N-(2-(2-(2-(5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno(3,4-d)imidazol-6-yl)pentanoylamino)ethoxy)ethoxy)ethyl)carbamate (175885-18-4) → N-[(S)-2-(4-Benzoyl-benzoylamino)-1-({[2-(2-{2-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methyl}-carbamoyl)-ethyl]-succinamic acid (505077-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: TFA; anisole / 1 h / 20 °C

With methoxybenzene; trifluoroacetic acid;

DOI:10.1021/ja026917a

upstream raw materials:

succinic acid anhydride

4-carboxybenzophenone

N-(8-amino-3,6-dioxaoctanyl)biotinamide

3,6-dioxa-1,8-diaminooctane