N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

Base Information

• Chemical Name: N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
• CAS No.: 5918-65-0
• Molecular Formula: C28H35N3O2S
• Molecular Weight: 186.213
• DSSTox Substance ID: DTXSID00411213
• Wikidata: Q82217767
• Mol file: 5918-65-0.mol

Synonyms:5918-65-0;N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide;DTXSID00411213

Chemical Property of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

Chemical Property:

• Vapor Pressure: 7.9E-18mmHg at 25°C
• Boiling Point: 670.3°Cat760mmHg
• Flash Point: 359.2°C
• Density: 1.165g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 477.24499854
• Heavy Atom Count: 34
• Complexity: 652

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(S3)C)C

Technology Process of N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide

There total 1 articles about N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide 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: 92.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + 2-amino-phenol (95-55-6) → 2-(N-2-hydroxyphenyl)pyrrolcarbaldimide (5918-65-0)

Guidance literature:

acetic acid; In ethanol; for 12h;

Reference yield: 78.0%

2-(N-2-hydroxyphenyl)pyrrolcarbaldimide (5918-65-0) + cis-[RuCl2(dppe)2] + zinc(II) acetate dihydrate (5970-45-6) → C78H64ClN3OP4RuZn

Guidance literature:

In methanol; dichloromethane; for 4h; Reflux;

DOI:10.1016/j.ica.2012.09.018

Reference yield: 76.0%

2-(N-2-hydroxyphenyl)pyrrolcarbaldimide (5918-65-0) + trans-(RuCl(dppe)2((4-ethynylphenyl)(3-pyridyl)acetylene(1-)) + nickel(II) acetate tetrahydrate (6018-89-9) → C78H64ClN3NiOP4Ru

Guidance literature:

In methanol; dichloromethane;

DOI:10.1016/j.ica.2012.09.018

upstream raw materials:

2-pyrrole aldehyde

2-amino-phenol

Downstream raw materials:

C₁₈H₂₂N₂OSi

C₂₃H₂₄N₂OSi

C₂₁H₂₂N₂OSi

C₄₂H₄₆N₄O₃Si₂