(S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid

Base Information

• Chemical Name: (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid
• CAS No.: 178484-35-0
• Molecular Formula: C₂₆H₃₂F₃N₇O₈S
• Molecular Weight: 659.643
• Mol file: 178484-35-0.mol

Synonyms:(S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid

Chemical Property of (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid

There total 2 articles about (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic 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: 89.0%

1-<<<2-nitro-4-<3-(trifluoromethyl)-3H-diazirin-3-yl>phenoxy>acetyl>oxy>-2,5-pyrrolidinedione (125680-85-5) + biocytin (576-19-2) → (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid (178484-35-0)

Guidance literature:

With sodium hydrogencarbonate; In water; N,N-dimethyl-formamide; acetonitrile; for 1h; Ambient temperature;

DOI:10.1248/cpb.44.1111

Reference yield:

<2-nitro-4-<3-(trifluoromethyl)-3H-diazirin-3-yl>phenoxy>acetic acid (125680-84-4) → (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid (178484-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: DCC / acetonitrile

2: 89 percent / NaHCO₃ / H₂O; dimethylformamide; acetonitrile / 1 h / Ambient temperature

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1248/cpb.44.1111

Reference yield: 79.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid (178484-35-0) → (S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester (178484-36-1)

Guidance literature:

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1248/cpb.44.1111

upstream raw materials:

1-<<<2-nitro-4-<3-(trifluoromethyl)-3H-diazirin-3-yl>phenoxy>acetyl>oxy>-2,5-pyrrolidinedione

biocytin

<2-nitro-4-<3-(trifluoromethyl)-3H-diazirin-3-yl>phenoxy>acetic acid

Downstream raw materials:

(S)-2-{2-[2-Nitro-4-(3-trifluoromethyl-3H-diazirin-3-yl)-phenoxy]-acetylamino}-6-[5-((3aR,6S,6aS)-2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester