Ethyl [(4-methylphenyl)amino]acetate

Base Information

• Chemical Name: Ethyl [(4-methylphenyl)amino]acetate
• CAS No.: 21911-68-2
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID601269756
• Nikkaji Number: J881.153I
• Mol file: 21911-68-2.mol

Synonyms:ethyl [(4-methylphenyl)amino]acetate;21911-68-2;ethyl 2-(4-methylanilino)acetate;ethyl 2-[(4-methylphenyl)amino]acetate;ethyl 2-(p-tolylamino)acetate;Glycine, N-(4-methylphenyl)-, ethyl ester;ethyl N-(4-methylphenyl)glycinate;p-Tolylamino-acetic acid ethyl ester;ETHYL P-TOLYLGLYCINATE;ethyl2-(p-tolylamino)acetate;SCHEMBL4035087;DTXSID601269756;MFCD11154309;(4-methylphenyl)-glycine ethyl ester;AKOS000258376;LS-02570;CS-0214789;EN300-192680;G34036;Ethyl [(4-methylphenyl)amino]acetate (Ph(4-Me)-Gly-OEt)

Chemical Property of Ethyl [(4-methylphenyl)amino]acetate

Chemical Property:

• Boiling Point: 287.6±15.0 °C(Predicted)
• PKA: 1.98±0.50(Predicted)
• PSA: 38.33000
• Density: 1.084±0.06 g/cm3(Predicted)
• LogP: 2.04300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC1=CC=C(C=C1)C

Technology Process of Ethyl [(4-methylphenyl)amino]acetate

There total 12 articles about Ethyl [(4-methylphenyl)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: 99.0%

diazoacetic acid ethyl ester (623-73-4) + p-toluidine (106-49-0,12221-03-3) → ethyl 2-(p-tolylamino)acetate (21911-68-2)

Guidance literature:

With sodium dithionite; myoglobin mutant H₆₄V,V₆₈A; In aq. phosphate buffer; pH=8.0; Reagent/catalyst; chemoselective reaction;

DOI:10.1039/c4cc08753d

Reference yield: 88.0%

p-toluidine (106-49-0,12221-03-3) + ethyl bromoacetate (105-36-2) → ethyl 2-(p-tolylamino)acetate (21911-68-2)

Guidance literature:

With sodium acetate; In ethanol; at 85 - 90 ℃;

DOI:10.1021/jo4007199

Reference yield: 87.0%

p-toluidine (106-49-0,12221-03-3) + chloroacetic acid ethyl ester (105-39-5) → ethyl 2-(p-tolylamino)acetate (21911-68-2)

Guidance literature:

With sodium acetate; In ethanol; at 20 ℃; Reflux;

DOI:10.1155/2010/237473

upstream raw materials:

p-toluidine

chloroacetic acid ethyl ester

ethanol

N-(p-tolyl)glycine

Downstream raw materials:

N-carbobenzyloxy-L-alanyl-N-(4-methylphenyl)-glycine

4-Amino-5-(p-tolylamino-methyl)-4H-[1,2,4]triazole-3-thiol