2-[Methyl(3-phenylpropanoyl)amino]benzoic acid

Base Information

• Chemical Name: 2-[Methyl(3-phenylpropanoyl)amino]benzoic acid
• CAS No.: 207305-65-5
• Molecular Formula: C₁₇H₁₇NO₃
• Molecular Weight: 283.327
• DSSTox Substance ID: DTXSID301231243
• Nikkaji Number: J939.994A
• Wikidata: Q77566309
• Metabolomics Workbench ID: 45750
• Mol file: 207305-65-5.mol

Synonyms:2-[Methyl(3-phenylpropanoyl)amino]benzoic acid;2-(methyl-(3-phenylpropanoyl)amino)benzoic Acid;DTXSID301231243;AKOS009108375;207305-65-5;2-(N-methyl-3-phenylpropanamido)benzoic acid;2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid;2-[Methyl(1-oxo-3-phenylpropyl)amino]benzoic acid

Chemical Property of 2-[Methyl(3-phenylpropanoyl)amino]benzoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 283.12084340
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1C(=O)O)C(=O)CCC2=CC=CC=C2

Technology Process of 2-[Methyl(3-phenylpropanoyl)amino]benzoic acid

There total 1 articles about 2-[Methyl(3-phenylpropanoyl)amino]benzoic acid 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: 62.0%

N-Methylanthranilic acid (119-68-6) + hydrocinnamic acid chloride (645-45-4) → 2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid (207305-65-5)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

DOI:10.7164/antibiotics.51.333

Reference yield: 68.0%

4-penten-3-one (1629-58-9) + 2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid (207305-65-5) + methyl iodide (74-88-4) → C23H25NO4 + (E)-methyl 2-(N-methyl-3-(3-(3-oxopent-1-en-1-yl)phenyl)propanamido)benzoate

Guidance literature:

4-penten-3-one; 2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid; With (S)-2-acetylamino-3-phenylpropanoic acid; palladium diacetate; silica gel; silver pivalate; at 80 ℃; for 24h; Sealed tube;

methyl iodide; With potassium carbonate; In acetone; at 60 ℃; for 2h;

DOI:10.1002/anie.201910691

Reference yield: 67.0%

methanol (67-56-1) + 2-[methyl-(3-phenylpropionyl)lamino]-benzoic acid (207305-65-5) → 2-[methyl-(3-phenylpropionyl)amino]-benzoic acid methyl ester

Guidance literature:

sulfuric acid; for 6h; Heating;

DOI:10.7164/antibiotics.51.333

upstream raw materials:

N-Methylanthranilic acid

hydrocinnamic acid chloride