Methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate

Base Information

• Chemical Name: Methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate
• CAS No.: 5729-77-1
• Molecular Formula: C23H22N2O5S
• Molecular Weight: 438.4962
• DSSTox Substance ID: DTXSID00360393
• Wikidata: Q82142110
• Mol file: 5729-77-1.mol

Synonyms:5729-77-1;CBMicro_029254;methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate;Oprea1_431172;Oprea1_729243;DTXSID00360393;STK891727;AKOS000372745;BIM-0029225.P001;methyl 2-{[(4-{[(methylsulfonyl)(phenyl)amino]methyl}phenyl)carbonyl]amino}benzoate

Chemical Property of Methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.345g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 438.12494298
• Heavy Atom Count: 31
• Complexity: 706

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C

Technology Process of Methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate

There total 2 articles about Methyl 2-[[4-[(methylsulfonyl-phenyl-amino)methyl]benzoyl]amino]benzoate 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:

1,1,1-Trimethylhydrazinium chloride (5675-48-9) → Trimethylamin-imin (5729-77-1)

Guidance literature:

With potassium amide;

Reference yield:

→ Trimethylamin-imin (5729-77-1)

Guidance literature:

1,1,1-Trimethyl-hydrazinium-chlorid, KNH2;

Reference yield:

tetrachloromethane (56-23-5) + Trimethylamin-imin (5729-77-1) → trimethylamine cyanamide (35468-56-5)

Guidance literature:

In diethyl ether;

upstream raw materials:

1,1,1-Trimethylhydrazinium chloride

Downstream raw materials:

trimethylamine cyanamide