2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester
• CAS No.: 850320-89-7
• Molecular Formula: C₃₂H₄₁BrN₄O₇S
• Molecular Weight: 705.67

Synonyms:2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

Chemical Property of 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

There total 10 articles about 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ⁶-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester 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: 78.0%

2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydro-1H-1λ6-isothiazol-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester (850320-88-6) → 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester (850320-89-7)

Guidance literature:

With L-Selectride; In tetrahydrofuran; at -78 ℃; for 0.166667h;

DOI:10.1016/j.bmcl.2006.10.079

Reference yield:

3-(3-bromo-4-iodo-phenyl)-2-tert-butoxycarbonylamino-propionic acid (850321-49-2) → 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester (850320-89-7)

Guidance literature:

Multi-step reaction with 4 steps

1.1: BOPCl; i-Pr₂NEt / dimethylformamide / 2 h / 20 °C

1.2: AcOH / 2 h / 40 °C

2.1: NaOH / H₂O; tetrahydrofuran / 2 h / 35 °C

3.1: 34 percent / Pd(OAc)2; Bu₄NCl; Et₃N / dimethylformamide / 2.5 h / 70 °C

4.1: 78 percent / L-Selectride / tetrahydrofuran / 0.17 h / -78 °C

With palladium diacetate; sodium hydroxide; tetrabutyl-ammonium chloride; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; L-Selectride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide; 3.1: Heck coupling;

DOI:10.1016/j.bmcl.2006.10.079

Reference yield:

3-(3-bromo-4-iodo-phenyl)-2-tert-butoxycarbonylamino-propionic acid benzyl ester (850320-85-3) → 2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-1λ6-isothiazolidin-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester (850320-89-7)

Guidance literature:

Multi-step reaction with 5 steps

1.1: NaOH / H₂O; acetonitrile / 2 h / 20 °C

2.1: BOPCl; i-Pr₂NEt / dimethylformamide / 2 h / 20 °C

2.2: AcOH / 2 h / 40 °C

3.1: NaOH / H₂O; tetrahydrofuran / 2 h / 35 °C

4.1: 34 percent / Pd(OAc)2; Bu₄NCl; Et₃N / dimethylformamide / 2.5 h / 70 °C

5.1: 78 percent / L-Selectride / tetrahydrofuran / 0.17 h / -78 °C

With palladium diacetate; sodium hydroxide; tetrabutyl-ammonium chloride; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; L-Selectride; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; water; N,N-dimethyl-formamide; acetonitrile; 4.1: Heck coupling;

DOI:10.1016/j.bmcl.2006.10.079

upstream raw materials:

2-{2-[3-bromo-4-(2-tert-butyl-1,1,3-trioxo-2,3-dihydro-1H-1λ⁶-isothiazol-5-yl)-phenyl]-1-tert-butoxycarbonylamino-ethyl}-benzoimidazole-1-carboxylic acid tert-butyl ester

3-(3-bromo-4-iodo-phenyl)-2-tert-butoxycarbonylamino-propionic acid

3-(3-bromo-4-iodo-phenyl)-2-tert-butoxycarbonylamino-propionic acid benzyl ester

3-(4-amino-3-bromo-phenyl)-2-tert-butoxycarbonylamino-propionic acid benzyl ester

Downstream raw materials:

5-{4-[2-amino-2-(1H-benzoimidazol-2-yl)-ethyl]-2-bromo-phenyl}-2-tert-butyl-1,1-dioxo-1λ⁶-isothiazolidin-3-one

5-{4-[2-(1H-benzoimidazol-2-yl)-2-(benzothiazol-2-ylamino)-ethyl]-2-bromo-phenyl}-1,1-dioxo-1λ⁶-isothiazolidin-3-one

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