N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide

Base Information

• Chemical Name: N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide
• CAS No.: 354815-10-4
• Molecular Formula: C₄₄H₅₃Br₂N₉O₄S₂
• Molecular Weight: 995.903
• Mol file: 354815-10-4.mol

Synonyms:N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide

Chemical Property of N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide

There total 2 articles about N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide 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: 50.0%

1-methyl-piperazine (109-01-3) + 2-chloropropionyl chloride (625-36-5) + 2-(9-fluorenylmethyloxycarbonyl)imino-N,N'-[3-(2-amino-4-bromo)phenylsulfanyl]phenyldiacetylamide (354815-09-1) → N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide (354815-10-4)

Guidance literature:

2-chloropropionyl chloride; 2-(9-fluorenylmethyloxycarbonyl)imino-N,N'-[3-(2-amino-4-bromo)phenylsulfanyl]phenyldiacetylamide; With 1-ethyl-piperidine; In tetrahydrofuran; at 0 ℃; for 3h;

1-methyl-piperazine; In tetrahydrofuran; for 4h; Heating;

DOI:10.1016/S0968-0896(00)00312-6

Reference yield:

2-(9-fluorenylmethyloxycarbonyl)imino-N,N'-[3-(4-bromo-2-nitro)phenylsulfanyl]phenyldiacetylamide (354815-08-0) → N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide (354815-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 100 percent / Fe; aq. HCl / ethanol / 1 h / Heating

2.1: 1-ethylpiperidine / tetrahydrofuran / 3 h / 0 °C

2.2: 50 percent / tetrahydrofuran / 4 h / Heating

With 1-ethyl-piperidine; hydrogenchloride; iron; In tetrahydrofuran; ethanol;

DOI:10.1016/S0968-0896(00)00312-6

Reference yield: 80.0%

N-(tert-butoxycarbonyl)-4-aminobutanoic acid (57294-38-9) + N-{5-bromo-2-[3-(2-{[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-amino}-acetylamino)-phenylsulfanyl]-phenyl}-3-(4-methyl-piperazin-1-yl)-propionamide (354815-10-4) → (3-{bis-[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-carbamoyl}-propyl)-carbamic acid tert-butyl ester (354815-11-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2.16667h;

DOI:10.1016/S0968-0896(00)00312-6

upstream raw materials:

1-methyl-piperazine

2-chloropropionyl chloride

2-(9-fluorenylmethyloxycarbonyl)imino-N,N'-[3-(2-amino-4-bromo)phenylsulfanyl]phenyldiacetylamide

2-(9-fluorenylmethyloxycarbonyl)imino-N,N'-[3-(4-bromo-2-nitro)phenylsulfanyl]phenyldiacetylamide

Downstream raw materials:

(3-{bis-[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-carbamoyl}-propyl)-carbamic acid tert-butyl ester

4-amino-N,N-bis-[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenylcarbamoyl)-methyl]-butyramide