Methyl 2-[benzyl(phenyl)amino]acetate

Base Information

• Chemical Name: Methyl 2-[benzyl(phenyl)amino]acetate
• CAS No.: 137307-61-0
• Molecular Formula: C16H17 N O2
• Molecular Weight: 255.316
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00598472
• Nikkaji Number: J3.463.350I
• Wikidata: Q82494235
• Mol file: 137307-61-0.mol

Synonyms:137307-61-0;methyl 2-(N-benzylanilino)acetate;METHYL 2-[BENZYL(PHENYL)AMINO]ACETATE;Methyl 2-(benzyl(phenyl)amino)acetate;SCHEMBL9031711;DTXSID00598472;IZHYBGITNQKGKF-UHFFFAOYSA-N;Methyl N-benzyl-N-phenylglycinate;N-benzyl-N-phenylglycine methyl ester;DB-050075

Chemical Property of Methyl 2-[benzyl(phenyl)amino]acetate

Chemical Property:

• Boiling Point: 387.9±35.0 °C(Predicted)
• PKA: 2.46±0.50(Predicted)
• PSA: 38.33000
• Density: 1.136±0.06 g/cm3(Predicted)
• LogP: 3.08140
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CN(CC1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Methyl 2-[benzyl(phenyl)amino]acetate

There total 8 articles about Methyl 2-[benzyl(phenyl)amino]acetate 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: 56.0%

Malonic acid monomethyl ester (16695-14-0) + N-Benzylaniline (758640-21-0,103-32-2) → methyl 2-(benzyl(phenyl)amino)acetate (137307-61-0)

Guidance literature:

With tert.-butylhydroperoxide; sodium acetate; tetra-(n-butyl)ammonium iodide; In water; acetonitrile; at 90 ℃; for 8h;

DOI:10.1021/ol401139m

Reference yield: 54.0%

N-Benzylaniline (758640-21-0,103-32-2) + bromoacetic acid methyl ester (96-32-2) → methyl 2-(benzyl(phenyl)amino)acetate (137307-61-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.01.037

Reference yield: 41.0%

N-Benzylaniline (758640-21-0,103-32-2) + malonic acid dimethyl ester (108-59-8) → methyl 2-(benzyl(phenyl)amino)acetate (137307-61-0)

Guidance literature:

With tert.-butylhydroperoxide; tetra-(n-butyl)ammonium iodide; In water; acetonitrile; at 90 ℃; for 12h;

DOI:10.1039/c5ob00109a

upstream raw materials:

diazomethane

N-Benzyl-(S)-phenyl glycine

Malonic acid monomethyl ester

N-Benzylaniline