(N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate

Base Information

• Chemical Name: (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate
• CAS No.: 1037543-23-9
• Molecular Formula: C₄₅H₅₁N₅O₈
• Molecular Weight: 789.929
• Mol file: 1037543-23-9.mol

Synonyms:(N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate

Chemical Property of (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate

There total 3 articles about (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate 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: 65.0%

2-amino-N-{2-[(4-{[(3-pyridylmethoxy)-carbonylamino]methyl}phenyl)carbonylamino]phenyl}acetamide (1037543-22-8) + (4-nitrophenoxycarbonyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate → (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate (1037543-23-9)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; triethylamine; at 20 ℃; for 24h;

Reference yield: 65.0%

2-amino-N-{2-[(4-{[(3-pyridylmethoxy)-carbonylamino]methyl}phenyl)carbonylamino]phenyl}acetamide (1037543-22-8) + (4-nitrophenoxycarbonyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate → (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate (1037543-23-9)

Guidance literature:

With triethylamine; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 20 ℃; for 24h;

DOI:10.1021/jm8001839

Reference yield:

Entinostat (209783-80-2,442532-99-2) → (N-{[N-(2-{[4-{[3-pyridylmethoxycarbonylamino]methyl}phenyl]carbonylamino}phenyl)-carbamoyl]methyl}carbamoyloxy)methyl(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoate (1037543-23-9)

Guidance literature:

Multi-step reaction with 3 steps

1: benzotriazol-1-ol; dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 18 h / 20 °C

2: trifluoroacetic acid / dichloromethane / 2 h / 0 - 5 °C

3: N,N,N,N,N,N-hexamethylphosphoric triamide; triethylamine / 24 h / 20 °C

With N,N,N,N,N,N-hexamethylphosphoric triamide; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

2-amino-N-{2-[(4-{[(3-pyridylmethoxy)-carbonylamino]methyl}phenyl)carbonylamino]phenyl}acetamide

Entinostat