1,3,5-Tris(2,2-dimethylpropionylamino)benzene

Base Information

• Chemical Name: 1,3,5-Tris(2,2-dimethylpropionylamino)benzene
• CAS No.: 745070-61-5
• Deprecated CAS: 1106764-07-1
• Molecular Formula: C₂₁H₃₃N₃O₃
• Molecular Weight: 375.511
• UNII: N1YOS8E19Y
• DSSTox Substance ID: DTXSID6075437
• Nikkaji Number: J2.178.714K
• Wikidata: Q27284392
• Mol file: 745070-61-5.mol

Synonyms:745070-61-5;1,3,5-Tris(2,2-dimethylpropionylamino)benzene;UNII-N1YOS8E19Y;N1YOS8E19Y;Propanamide, N,N',N''-1,3,5-benzenetriyltris(2,2-dimethyl-;Propanamide,N,N',N''-1,3,5-benzenetriyltris[2,2-dimethyl-;N-[3,5-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;Propanamide, N,N',N''-1,3,5-benzenetriyltris[2,2-dimethyl-;IRGACLEAR XT 386;SCHEMBL23441;DTXSID6075437;CGX 386;1,3,5-TRIS(2,2-DIMETHYLPROPANAMIDO)BENZENE;N,N',N''-(Benzene-1,3,5-triyl)tris(pivalamide);Q27284392;N,N',N''-1,3,5-BENZENETRIYLTRIS(2,2-DI-METHYLPROPANAMIDE);N,N',N-1,3,5-BENZENETRIYLTRIS(2,2-DIMETHYLPROPANAMIDE)

Chemical Property of 1,3,5-Tris(2,2-dimethylpropionylamino)benzene

Chemical Property:

• PSA: 97.77000
• Density: 1.02[at 20℃]
• LogP: 6.58890
• Water Solubility.: 140μg/L at 20℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 375.25219192
• Heavy Atom Count: 27
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)NC1=CC(=CC(=C1)NC(=O)C(C)(C)C)NC(=O)C(C)(C)C

Technology Process of 1,3,5-Tris(2,2-dimethylpropionylamino)benzene

There total 2 articles about 1,3,5-Tris(2,2-dimethylpropionylamino)benzene 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%

1,3,5-triaminobenzene (108-72-5) + 2,2-dimethylpropanoic anhydride (1538-75-6) → 1,3,5-tris(2,2-dimethylpropionylamino)benzene (745070-61-5)

Guidance literature:

In methanol; at 20 ℃; for 2h;

Reference yield: 46.0%

→ 1,3,5-tris(2,2-dimethylpropionylamino)benzene (745070-61-5)

Guidance literature:

upstream raw materials:

1,3,5-triaminobenzene

2,2-dimethylpropanoic anhydride